instruction stringclasses 1
value | input stringlengths 4 227 | output stringlengths 53 823 |
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Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN1CCC[C@H]1COc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)ccc3[nH]2)cc1 | ADMET Metrics:
- Molecule Name: E-0001321
- HLM CLint: 56.4
- MLM CLint: 182.3 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0001780
- HLM CLint: 160.4
- MLM CLint: 1351.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCCN4CCN(C)CC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0001827
- MLM CLint: 193.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(-c2nc3cc(NC(=O)c4ccc5[nH]c(-c6ccc(OCCCN(C)C)cc6)nc5c4)ccc3[nH]2)cc1 | ADMET Metrics:
- Molecule Name: E-0002019
- HLM CLint: 9.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc2nc(-c3ccc(-c4nc5ccc(OCCCN(C)C)cc5[nH]4)c(F)c3)[nH]c2c1 | ADMET Metrics:
- Molecule Name: E-0002036
- MLM CLint: 162.0
- MGMB: 0.0122 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CC(O)COc1ccc2nc(-c3ccc(-c4nc5ccc(OCC(O)CN(C)C)cc5[nH]4)c(F)c3)[nH]c2c1 | ADMET Metrics:
- Molecule Name: E-0002269
- HLM CLint: 18.9
- MLM CLint: 64.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc(-c2nc3ccc(OCCCN(C)C)cc3[nH]2)cc1NC(=O)c1cccc(NC(=O)c2ncc[nH]2)c1 | ADMET Metrics:
- Molecule Name: E-0002284
- HLM CLint: 14.9
- MLM CLint: 66.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(-c2nc3cc(OCCCN(C)C)ccc3[nH]2)c1 | ADMET Metrics:
- Molecule Name: E-0002290
- HLM CLint: 15.0
- MLM CLint: 167.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2nc(-c3ccc(-c4nc5ccc(OCCCC(=N)N)cc5[nH]4)cc3)[nH]c2c1 | ADMET Metrics:
- Molecule Name: E-0002377
- HLM CLint: 243.3
- MLM CLint: 77.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)C1CCN(c2ccc3nc(-c4ccc(-c5nc6ccc(N7CCC(N(C)C)CC7)cc6[nH]5)cc4)[nH]c3c2)CC1 | ADMET Metrics:
- Molecule Name: E-0003046
- HLM CLint: 8.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc2nc(-c3cccc4nc(-c5ccncc5)[nH]c34)[nH]c2c1 | ADMET Metrics:
- Molecule Name: E-0003079
- HLM CLint: 7.4
- MLM CLint: 342.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(-c2nc3cc(-c4ccc5[nH]c(N)nc5c4)ccc3[nH]2)cc1 | ADMET Metrics:
- Molecule Name: E-0003089
- HLM CLint: 14.2
- MLM CLint: 82.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(-c2nc3cc(-c4ccc5[nH]cnc5c4)ccc3[nH]2)cc1 | ADMET Metrics:
- Molecule Name: E-0003090
- HLM CLint: 18.9
- MLM CLint: 336.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)Cc1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1 | ADMET Metrics:
- Molecule Name: E-0010021
- HLM CLint: 9.9
- MLM CLint: 180.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCOc1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1 | ADMET Metrics:
- Molecule Name: E-0010022
- HLM CLint: 15.6
- MLM CLint: 250.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CC(NC(=O)Nc1ccc2nnsc2c1)c1cnn(C)c1 | ADMET Metrics:
- Molecule Name: E-0010024
- MLM CLint: 36.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | O=C(NCc1cn[nH]c1)Nc1ccc2nnsc2c1 | ADMET Metrics:
- Molecule Name: E-0010025
- HLM CLint: 9.3
- MLM CLint: 2044.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN1CCC(C(=O)NCc2cccc(CNC(=O)Nc3ccc4nnsc4c3)c2)CC1 | ADMET Metrics:
- Molecule Name: E-0010059
- HLM CLint: 9.1
- MLM CLint: 54.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | O=C(NCc1cccc(CNC(=O)c2nc3ccccc3[nH]2)c1)Nc1ccc2nnsc2c1 | ADMET Metrics:
- Molecule Name: E-0010060
- HLM CLint: 54.4
- MLM CLint: 658.3 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(CNC(=O)Nc2ccc3ncccc3c2)cc1 | ADMET Metrics:
- Molecule Name: E-0010062
- MLM CLint: 39.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(CNC(=O)Nc2ccc3ncsc3c2)cc1 | ADMET Metrics:
- Molecule Name: E-0010066
- MLM CLint: 69.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2nc(-c3ccc(-c4nc5ccc(OCCCNC(=N)N(C)C)cc5[nH]4)cc3)[nH]c2c1 | ADMET Metrics:
- Molecule Name: E-0010071
- HLM CLint: 173.4
- MLM CLint: 96.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc(CNC(=O)Nc2ccc3cnccc3c2)cc1 | ADMET Metrics:
- Molecule Name: E-0010120
- HLM CLint: 15.8
- MLM CLint: 675.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | NCc1cccc(CNC(=O)Nc2ccc3ncccc3c2)c1 | ADMET Metrics:
- Molecule Name: E-0010121
- HLM CLint: 123.2
- MLM CLint: 439.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc3c(C(=O)N[C@H](C)CN(C)C)nccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010138
- MLM CLint: 4085.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010347
- KSOL: 121.0
- MLM CLint: 418.1
- MPPB: 5.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCCN4CCOCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010358
- HLM CLint: 10.7
- MLM CLint: 517.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCCN4CCCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010360
- MLM CLint: 273.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CCN(CC)CCCOc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010361
- MLM CLint: 243.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN4CCOCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010362
- HLM CLint: 10.7
- MLM CLint: 685.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC(N)=O)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010455
- HLM CLint: 46.2
- MLM CLint: 399.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(C(=O)NCCN(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010457
- MLM CLint: 325.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc(C(=O)NCCCN(C)C)nc(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010464
- KSOL: 182.0
- MLM CLint: 481.7
- MPPB: 23.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(=O)NCCCN(C)C)cc2c3cc(OCCCN(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010481
- KSOL: 203.0
- MLM CLint: 275.1
- MPPB: 62.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(=O)NCCN(C)C)cc2c3cc(OCCCN(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010482
- KSOL: 224.0
- MLM CLint: 216.7
- MPPB: 37.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC4=NCCN4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010495
- MLM CLint: 233.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCNC(=O)c1cc2c3cc(OCCCN(C)C)ccc3n(C)c2cn1 | ADMET Metrics:
- Molecule Name: E-0010519
- KSOL: 180.0
- MLM CLint: 128.9
- MPPB: 43.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCOc1ccc2c(c1)c1cc(C(=O)NCCN(C)C)ncc1n2C | ADMET Metrics:
- Molecule Name: E-0010520
- KSOL: 194.0
- MLM CLint: 41.2
- MPPB: 74.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CNC(=O)COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010559
- KSOL: 12.5
- HLM CLint: 48.9
- MLM CLint: 737.5
- MPPB: 1.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010561
- KSOL: 157.0
- MLM CLint: 3325.1
- MPPB: 3.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN4CCCCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010562
- KSOL: 140.0
- HLM CLint: 12.6
- MLM CLint: 297.7
- MPPB: 3.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010567
- KSOL: 156.0
- HLM CLint: 13.6
- MLM CLint: 144.2
- MPPB: 2.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc3c(C(=O)NCCCN(C)C)nccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010568
- MLM CLint: 1426.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN4CCN(C)CC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010569
- KSOL: 237.0
- HLM CLint: 17.6
- MLM CLint: 266.8
- MPPB: 2.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CCN(CC)CCOc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010578
- KSOL: 245.0
- HLM CLint: 12.7
- MLM CLint: 237.5
- MPPB: 3.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2c(c1)c1cc3ccncc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010584
- HLM CLint: 90.7
- MLM CLint: 1456.8
- MPPB: 0.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3ccc(OCC4=NCCN4)cc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010596
- MLM CLint: 611.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc2oc3c(C)c4ccncc4cc3c2c1 | ADMET Metrics:
- Molecule Name: E-0010600
- HLM CLint: 112.1
- MLM CLint: 273.4
- MPPB: 0.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OC[C@H]4CCCN4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010604
- KSOL: 174.0
- MLM CLint: 211.2
- MPPB: 3.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3c(OCC4=NCCN4)cccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010607
- HLM CLint: 18.7
- MLM CLint: 578.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OC[C@@H]4CCCN4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010611
- KSOL: 227.0
- MLM CLint: 228.2
- MPPB: 1.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC(=O)N(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010625
- KSOL: 7.73
- HLM CLint: 65.7
- MLM CLint: 867.9
- MPPB: 1.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(=O)NCCCN(C)C)cc2c3cc(OCCN4CCOCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010627
- KSOL: 150.0
- MLM CLint: 498.1
- MPPB: 47.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(=O)NCCCN(C)C)cc2c3cc(OCC4=NCCN4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010628
- MLM CLint: 56.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCNc1nc(Nc2ccncc2)nc2ccccc12 | ADMET Metrics:
- Molecule Name: E-0010647
- LogD: 1.5
- Caco-2 Permeability Papp A>B: 4.16
- Caco-2 Permeability Efflux: 1.92 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CCn1c2ccc(OCC3=NCCN3)cc2c2cc3cnccc3c(C)c21 | ADMET Metrics:
- Molecule Name: E-0010656
- KSOL: 202.0
- MLM CLint: 485.1
- MPPB: 1.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC4=NCCN4C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010660
- KSOL: 74.7
- MLM CLint: 244.4
- MPPB: 5.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCCN3CCOCC3)cc2c2cc3cnccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010662
- KSOL: 208.0
- HLM CLint: 29.0
- MLM CLint: 1364.9
- MPPB: 1.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c1sc1ccc(OCCN3CCOCC3)cc12 | ADMET Metrics:
- Molecule Name: E-0010676
- HLM CLint: 45.5
- MLM CLint: 2336.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC4=NCCN4)ccc3n(C(C)C)c12 | ADMET Metrics:
- Molecule Name: E-0010686
- MLM CLint: 405.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(C(N)=O)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010690
- HLM CLint: 73.4
- MLM CLint: 1405.5
- MPPB: 1.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CNC(=O)c1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010691
- HLM CLint: 41.1
- MLM CLint: 221.8
- MPPB: 1.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(C(=O)NCCO)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010712
- HLM CLint: 16.4
- MLM CLint: 191.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COCCNC(=O)c1ccc2c(c1)c1cc3cnccc3c(C)c1n2C | ADMET Metrics:
- Molecule Name: E-0010713
- KSOL: 144.0
- HLM CLint: 40.0
- MLM CLint: 1900.2
- MPPB: 5.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OC[C@H](C)N)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010724
- MLM CLint: 71.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(N)=O)cc2c3cc(OCCN4CCOCC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010727
- KSOL: 14.5
- HLM CLint: 11.7
- MLM CLint: 1602.1
- MPPB: 8.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccnc(C(=O)N[C@H](C)CN(C)C)c2cc2c3ccc(OCCCN4CCN(C)CC4)cc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010730
- KSOL: 204.0
- HLM CLint: 15.6
- MLM CLint: 1050.6
- MPPB: 8.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCCN3CCOCC3)cc2c2cc3ncccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010733
- KSOL: 107.0
- HLM CLint: 33.0
- MLM CLint: 3579.0
- MPPB: 4.3 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCOc1ccc2c(c1)c1cc3ncccc3cc1n2C | ADMET Metrics:
- Molecule Name: E-0010734
- KSOL: 223.0
- HLM CLint: 21.5
- MLM CLint: 1959.7
- MPPB: 8.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN4CCC(O)CC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010736
- KSOL: 216.0
- HLM CLint: 18.4
- MLM CLint: 177.3
- MPPB: 2.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN4CCC(F)CC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010737
- KSOL: 135.0
- HLM CLint: 26.6
- MLM CLint: 545.1
- MPPB: 1.3 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OC[C@H](C)N(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010738
- KSOL: 207.0
- HLM CLint: 13.2
- MLM CLint: 260.7
- MPPB: 1.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2c(cc3c4cc(OCC5=NCCN5)ccc4n(C)c13)C(=O)NCC2 | ADMET Metrics:
- Molecule Name: E-0010739
- KSOL: 171.0
- HLM CLint: 20.6
- MLM CLint: 175.5
- MPPB: 12.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCC3=NCCN3)cc2c2cc3cnccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010751
- KSOL: 193.0
- MLM CLint: 687.7
- MPPB: 7.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCOc1ccc2c(c1)c1cc3cnccc3cc1n2C | ADMET Metrics:
- Molecule Name: E-0010754
- KSOL: 170.0
- HLM CLint: 19.5
- MLM CLint: 369.4
- MPPB: 8.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccnc(C(=O)N[C@H](C)CN(C)C)c2cc2c3c(OCCCN4CCN(C)CC4)cccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010765
- KSOL: 146.0
- HLM CLint: 22.7
- MLM CLint: 122.1
- MPPB: 2.3 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1nc(C(N)=O)cc2c3cc(OCC4=NCCN4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010766
- KSOL: 183.0
- MLM CLint: 244.7
- MPPB: 29.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCCN3CCCCC3)cc2c2nc3cnccc3nc21 | ADMET Metrics:
- Molecule Name: E-0010767
- KSOL: 168.0
- HLM CLint: 11.2
- MLM CLint: 448.1
- MPPB: 20.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(C#N)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010768
- HLM CLint: 136.7
- MLM CLint: 899.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCNC(=O)c1ccc2c(c1)c1cc3ccncc3nc1n2C | ADMET Metrics:
- Molecule Name: E-0010771
- MLM CLint: 739.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCC3=NCCN3)cc2c2cc3ccncc3nc21 | ADMET Metrics:
- Molecule Name: E-0010772
- HLM CLint: 27.9
- MLM CLint: 1145.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(N4CCN(C)CC4)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010774
- MLM CLint: 299.1 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCCN3CCOCC3)cc2c2nc3cnccc3nc21 | ADMET Metrics:
- Molecule Name: E-0010776
- KSOL: 130.0
- HLM CLint: 20.0
- MLM CLint: 1125.8
- MPPB: 22.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCC(=N)N)cc2c2cc3cnccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010784
- KSOL: 34.3
- MLM CLint: 683.0
- MPPB: 6.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCC3=NCCN3)cc2c2nc3cnccc3nc21 | ADMET Metrics:
- Molecule Name: E-0010786
- KSOL: 163.0
- MLM CLint: 548.8
- MPPB: 28.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2c(cc3c4cc(OCC5=NCCN5)ccc4n(C)c13)C(=O)N(C)CC2 | ADMET Metrics:
- Molecule Name: E-0010812
- KSOL: 152.0
- HLM CLint: 12.9
- MLM CLint: 439.1
- MPPB: 8.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCNc1nccc2c1C(=O)c1c([nH]c3ccc(OCC4=NCCN4)cc13)C2=O | ADMET Metrics:
- Molecule Name: E-0010816
- MLM CLint: 34.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCC4=NCCN4)cc(F)c3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010922
- HLM CLint: 12.6
- MLM CLint: 1129.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CCn1c2ccc(OCC3=NCCN3)cc2c2cc3cnccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010975
- KSOL: 147.0
- HLM CLint: 24.7
- MLM CLint: 273.9
- MPPB: 13.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2ccncc2cc2c3cc(OCCN(C)C)cc(F)c3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0010989
- MLM CLint: 799.6 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cn1c2ccc(OCC(=N)N)cc2c2cc3ncccc3cc21 | ADMET Metrics:
- Molecule Name: E-0010994
- KSOL: 78.3
- HLM CLint: 15.7
- MLM CLint: 1853.6
- MPPB: 6.2 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COc1ccc(Nc2nccc(NCCc3ccncc3)n2)cc1 | ADMET Metrics:
- Molecule Name: E-0011026
- LogD: 2.8
- KSOL: 67.4
- HLM CLint: 104.8
- MLM CLint: 1164.8
- Caco-2 Permeability Papp A>B: 26.39
- Caco-2 Permeability Efflux: 0.78
- MPPB: 8.0 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CN(C)CCCn1ccc2nc3ccc(OCC4=NCCN4)cc3c-2c1 | ADMET Metrics:
- Molecule Name: E-0011078
- KSOL: 207.0
- MPPB: 72.8 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | c1cc2cc3[nH]c4ccc(OCC5=NCCN5)cc4c3cc2cn1 | ADMET Metrics:
- Molecule Name: E-0011079
- KSOL: 160.0
- HLM CLint: 22.8
- MLM CLint: 193.3
- MPPB: 69.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CNc1ccnc(N(CCc2cccnc2)c2ccnc(Nc3ccc(Cl)cc3)n2)n1 | ADMET Metrics:
- Molecule Name: E-0011083
- LogD: -0.1
- KSOL: 95.2
- HLM CLint: 25.4
- MLM CLint: 339.3
- MPPB: 9.5 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | NC(=O)CN1C(=O)Cc2ccc(-c3ccccc3)cc21 | ADMET Metrics:
- Molecule Name: E-0011122
- KSOL: 40.4
- HLM CLint: 13.5
- MLM CLint: 136.3
- MPPB: 5.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CNc1ccnc(N(CCc2cccnc2)c2ccnc(Nc3ccc(OC)cc3)n2)n1 | ADMET Metrics:
- Molecule Name: E-0011133
- LogD: -0.6
- KSOL: 90.8
- HLM CLint: 20.6
- MLM CLint: 319.3
- MPPB: 29.4 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | CNc1ccnc(N(CCc2ccncc2)c2ccnc(Nc3ccc(OC)cc3)n2)n1 | ADMET Metrics:
- Molecule Name: E-0011137
- LogD: -0.6
- KSOL: 97.2
- HLM CLint: 19.9
- MLM CLint: 361.8
- MPPB: 30.7 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | Cc1c2cnccc2cc2c3cc(OCCN(C)C)ccc3n(C)c12 | ADMET Metrics:
- Molecule Name: E-0011166
- KSOL: 158.0
- HLM CLint: 33.4
- MLM CLint: 664.2
- MPPB: 2.9 |
Analyze the aqueous solubility and ADMET profile for the following chemical compound. | COC(C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21 | ADMET Metrics:
- Molecule Name: E-0011167
- MPPB: 21.8 |
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