Molecular Properties | |
SMILES: | Cc1cccc(Cn2c(=O)n(CCNC(=O)[C@@H]3CCCO3)c3ncccc32)c1 |
MW: | 380.18 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-70
0.756
MAR-TRE-3e4e6814-51
0.747
MAR-TRE-d0525fbf-66
0.707
MAR-TRE-f6f5f473-41
0.592
MAR-TRE-3e4e6814-71
0.550
MAR-TRE-d0525fbf-88
0.510
MAR-TRE-74c6519b-11
0.495
MAR-TRE-f6f5f473-93
0.481
MAR-TRE-74c6519b-59
0.471
MAR-TRE-3e4e6814-64
0.466
MAR-TRE-f6f5f473-61
0.450
MAR-TRE-f6f5f473-42
0.446
MAR-TRE-04c86cea-14
0.445
MAR-TRE-04c86cea-88
0.414
MAR-TRE-04c86cea-54
0.412
MAR-TRE-f6f5f473-72
0.398
MAR-TRE-b77b7921-11
0.387
MAR-TRE-3159af1a-97
0.385
MAR-TRE-74c6519b-25
0.383
MAR-TRE-04c86cea-15
0.374
MAR-TRE-74c6519b-70
0.365
MAR-TRE-04c86cea-37
0.365
MAR-TRE-f6f5f473-49
0.361
MAR-TRE-74c6519b-8
0.348
MAR-TRE-3e4e6814-2
0.347
MAR-TRE-74c6519b-75
0.345
MAR-TRE-3e4e6814-60
0.345
MAR-TRE-f6f5f473-89
0.339
MAR-TRE-f6f5f473-54
0.339
MAR-TRE-74c6519b-7
0.336
MAR-TRE-3e4e6814-25
0.333
MAR-TRE-04c86cea-74
0.328
MAR-TRE-67513f76-62
0.322
MAR-TRE-f6f5f473-43
0.322
MAR-TRE-4b834d9a-93
0.319
MAR-TRE-f6f5f473-59
0.317
MAR-TRE-f6f5f473-96
0.317
MAR-TRE-f6f5f473-88
0.316
MAR-TRE-f6f5f473-66
0.312
MAR-TRE-7f7bb9f0-71
0.311
MAR-TRE-04c86cea-72
0.311
MAR-TRE-f6f5f473-82
0.310
MAR-TRE-3e4e6814-26
0.309
MAR-TRE-f6f5f473-26
0.308
MAR-TRE-74c6519b-3
0.307
MAR-TRE-f6f5f473-53
0.307
MAR-TRE-d0525fbf-78
0.306
MAR-TRE-f6f5f473-45
0.306
MAR-TRE-7f7bb9f0-34
0.306
MAR-TRE-04c86cea-73
0.305
MAR-TRE-f6f5f473-40
0.305
MAR-TRE-f6f5f473-55
0.304
MAR-TRE-04c86cea-20
0.304
MAR-TRE-4b834d9a-99
0.304
MAR-TRE-3e4e6814-75
0.304
MAR-TRE-4b834d9a-28
0.303
MAR-TRE-04c86cea-27
0.303
MAR-TRE-04c86cea-9
0.303
MAR-TRE-04c86cea-12
0.303
MAR-TRE-3e4e6814-5
0.303
MAR-TRE-f6f5f473-12
0.303
MAR-TRE-4b834d9a-33
0.301
MAR-TRE-b77b7921-8
0.301
MAR-TRE-04c86cea-89
0.301
MAR-TRE-04c86cea-6
0.300
MAR-TRE-b77b7921-23
0.300
MAR-TRE-f6f5f473-50
0.300
MAR-TRE-3e4e6814-33
0.299
MAR-TRE-4b834d9a-2
0.298
MAR-TRE-74c6519b-71
0.298
MAR-TRE-3e4e6814-19
0.298
MAR-TRE-f6f5f473-22
0.298
MAR-TRE-67513f76-18
0.297
MAR-TRE-74c6519b-73
0.297
MAR-TRE-3e4e6814-72
0.297
MAR-TRE-04c86cea-63
0.297
MAR-TRE-3e4e6814-69
0.296
MAR-TRE-4b834d9a-25
0.296
MAR-TRE-b77b7921-20
0.295
MAR-TRE-67513f76-94
0.295
MAR-TRE-4b834d9a-55
0.295
MAR-TRE-d0525fbf-79
0.294
MAR-TRE-04c86cea-77
0.294
MAR-TRE-74c6519b-60
0.294
MAR-TRE-3159af1a-4
0.293
MAR-TRE-4b834d9a-3
0.293
MAR-TRE-b77b7921-93
0.293
MAR-TRE-f6f5f473-34
0.293
MAR-TRE-3e4e6814-4
0.293
MAR-TRE-74c6519b-16
0.293
MAR-TRE-b77b7921-21
0.293
MAR-TRE-04c86cea-25
0.293
MAR-TRE-4b834d9a-84
0.292
MAR-TRE-74c6519b-78
0.292
MAR-TRE-4b834d9a-12
0.292
MAR-TRE-04c86cea-56
0.292
MAR-TRE-3e4e6814-14
0.291
MAR-TRE-74c6519b-39
0.291
MAR-TRE-b77b7921-16
0.291
MAR-TRE-b77b7921-59
0.291