Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)n(CCNC(=O)[C@@H]3CCCO3)c3ncccc32)cc1 |
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-d0525fbf-66
0.821
MAR-TRE-3e4e6814-94
0.756
MAR-TRE-3e4e6814-71
0.736
MAR-TRE-74c6519b-59
0.620
MAR-TRE-d0525fbf-88
0.596
MAR-TRE-f6f5f473-93
0.594
MAR-TRE-f6f5f473-61
0.588
MAR-TRE-f6f5f473-42
0.564
MAR-TRE-74c6519b-11
0.559
MAR-TRE-3e4e6814-51
0.550
MAR-TRE-3e4e6814-64
0.485
MAR-TRE-04c86cea-88
0.471
MAR-TRE-74c6519b-75
0.455
MAR-TRE-04c86cea-54
0.454
MAR-TRE-f6f5f473-54
0.442
MAR-TRE-04c86cea-14
0.435
MAR-TRE-f6f5f473-66
0.430
MAR-TRE-f6f5f473-41
0.429
MAR-TRE-04c86cea-73
0.415
MAR-TRE-3159af1a-97
0.400
MAR-TRE-04c86cea-74
0.400
MAR-TRE-04c86cea-12
0.396
MAR-TRE-f6f5f473-43
0.396
MAR-TRE-3e4e6814-60
0.394
MAR-TRE-f6f5f473-40
0.389
MAR-TRE-f6f5f473-88
0.389
MAR-TRE-3e4e6814-35
0.387
MAR-TRE-3e4e6814-25
0.382
MAR-TRE-f6f5f473-92
0.374
MAR-TRE-74c6519b-73
0.373
MAR-TRE-4b834d9a-51
0.368
MAR-TRE-74c6519b-40
0.366
MAR-TRE-74c6519b-30
0.355
MAR-TRE-f6f5f473-34
0.352
MAR-TRE-f6f5f473-17
0.342
MAR-TRE-3e4e6814-26
0.342
MAR-TRE-3e4e6814-42
0.340
MAR-TRE-3e4e6814-21
0.339
MAR-TRE-d0525fbf-32
0.339
MAR-TRE-f6f5f473-86
0.337
MAR-TRE-74c6519b-6
0.336
MAR-TRE-74c6519b-21
0.336
MAR-TRE-67513f76-62
0.333
MAR-TRE-74c6519b-92
0.333
MAR-TRE-04c86cea-36
0.330
MAR-TRE-04c86cea-63
0.330
MAR-TRE-f6f5f473-72
0.328
MAR-TRE-f6f5f473-55
0.327
MAR-TRE-f6f5f473-89
0.327
MAR-TRE-b77b7921-48
0.325
MAR-TRE-74c6519b-5
0.325
MAR-TRE-04c86cea-56
0.325
MAR-TRE-f6f5f473-16
0.325
MAR-TRE-f6f5f473-21
0.325
MAR-TRE-74c6519b-39
0.324
MAR-TRE-04c86cea-80
0.324
MAR-TRE-04c86cea-89
0.322
MAR-TRE-7f7bb9f0-71
0.322
MAR-TRE-3e4e6814-11
0.322
MAR-TRE-f6f5f473-50
0.322
MAR-TRE-3e4e6814-33
0.321
MAR-TRE-3e4e6814-86
0.321
MAR-TRE-4b834d9a-93
0.319
MAR-TRE-f6f5f473-68
0.319
MAR-TRE-7f7bb9f0-34
0.316
MAR-TRE-b77b7921-20
0.316
MAR-TRE-f6f5f473-62
0.316
MAR-TRE-f6f5f473-96
0.316
MAR-TRE-3e4e6814-10
0.315
MAR-TRE-4b834d9a-28
0.314
MAR-TRE-3e4e6814-4
0.314
MAR-TRE-f6f5f473-12
0.313
MAR-TRE-04c86cea-70
0.310
MAR-TRE-f6f5f473-82
0.310
MAR-TRE-67513f76-18
0.308
MAR-TRE-f6f5f473-22
0.308
MAR-TRE-f6f5f473-53
0.306
MAR-TRE-74c6519b-3
0.306
MAR-TRE-4b834d9a-55
0.306
MAR-TRE-4b834d9a-30
0.305
MAR-TRE-04c86cea-67
0.305
MAR-TRE-b77b7921-45
0.305
MAR-TRE-4b834d9a-84
0.303
MAR-TRE-3e4e6814-75
0.303
MAR-TRE-b77b7921-5
0.303
MAR-TRE-b77b7921-7
0.303
MAR-TRE-04c86cea-9
0.303
MAR-TRE-04c86cea-25
0.303
MAR-TRE-04c86cea-66
0.303
MAR-TRE-b77b7921-16
0.301
MAR-TRE-b77b7921-59
0.301
MAR-TRE-67513f76-15
0.300
MAR-TRE-04c86cea-33
0.300
MAR-TRE-b77b7921-8
0.300
MAR-TRE-b77b7921-11
0.300
MAR-TRE-b77b7921-23
0.299
MAR-TRE-d0525fbf-39
0.299
MAR-TRE-04c86cea-72
0.299
MAR-TRE-7f7bb9f0-85
0.299
MAR-TRE-b77b7921-54
0.299