Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)n(CCNC(=O)Cc3ccccc3Cl)c3ncccc32)cc1 |
MW: | 434.15 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 68.92 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9104406933 |
MolPort: | MolPort-028-859-202 |
MAR-TRE-04c86cea-88
0.821
MAR-TRE-f6f5f473-93
0.700
MAR-TRE-3e4e6814-71
0.641
MAR-TRE-74c6519b-59
0.620
MAR-TRE-3e4e6814-70
0.588
MAR-TRE-f6f5f473-42
0.580
MAR-TRE-d0525fbf-88
0.515
MAR-TRE-3e4e6814-64
0.500
MAR-TRE-3e4e6814-51
0.490
MAR-TRE-d0525fbf-66
0.471
MAR-TRE-4b834d9a-55
0.469
MAR-TRE-04c86cea-54
0.467
MAR-TRE-04c86cea-74
0.467
MAR-TRE-04c86cea-12
0.462
MAR-TRE-04c86cea-14
0.462
MAR-TRE-74c6519b-11
0.459
MAR-TRE-f6f5f473-41
0.455
MAR-TRE-3e4e6814-94
0.450
MAR-TRE-f6f5f473-66
0.444
MAR-TRE-4b834d9a-95
0.439
MAR-TRE-04c86cea-73
0.429
MAR-TRE-04c86cea-55
0.421
MAR-TRE-3e4e6814-90
0.417
MAR-TRE-04c86cea-69
0.417
MAR-TRE-4b834d9a-76
0.415
MAR-TRE-f6f5f473-40
0.415
MAR-TRE-74c6519b-75
0.412
MAR-TRE-f6f5f473-92
0.411
MAR-TRE-d0525fbf-12
0.404
MAR-TRE-f6f5f473-50
0.394
MAR-TRE-f6f5f473-54
0.389
MAR-TRE-74c6519b-73
0.386
MAR-TRE-04c86cea-92
0.385
MAR-TRE-f6f5f473-68
0.380
MAR-TRE-d0525fbf-29
0.378
MAR-TRE-f6f5f473-34
0.377
MAR-TRE-f6f5f473-12
0.373
MAR-TRE-04c86cea-70
0.369
MAR-TRE-74c6519b-20
0.368
MAR-TRE-74c6519b-30
0.367
MAR-TRE-74c6519b-40
0.366
MAR-TRE-3e4e6814-35
0.363
MAR-TRE-3e4e6814-25
0.357
MAR-TRE-4b834d9a-51
0.357
MAR-TRE-f6f5f473-17
0.355
MAR-TRE-74c6519b-4
0.354
MAR-TRE-4b834d9a-99
0.352
MAR-TRE-74c6519b-78
0.352
MAR-TRE-f6f5f473-55
0.352
MAR-TRE-3e4e6814-21
0.351
MAR-TRE-b77b7921-31
0.351
MAR-TRE-f6f5f473-86
0.350
MAR-TRE-4b834d9a-8
0.349
MAR-TRE-74c6519b-6
0.349
MAR-TRE-f6f5f473-21
0.348
MAR-TRE-74c6519b-21
0.348
MAR-TRE-f6f5f473-43
0.345
MAR-TRE-b77b7921-28
0.345
MAR-TRE-4b834d9a-93
0.342
MAR-TRE-f6f5f473-88
0.339
MAR-TRE-b77b7921-20
0.339
MAR-TRE-4b834d9a-33
0.336
MAR-TRE-04c86cea-80
0.336
MAR-TRE-74c6519b-39
0.336
MAR-TRE-74c6519b-5
0.336
MAR-TRE-74c6519b-86
0.336
MAR-TRE-b77b7921-48
0.336
MAR-TRE-d0525fbf-43
0.333
MAR-TRE-3e4e6814-11
0.333
MAR-TRE-74c6519b-92
0.333
MAR-TRE-3e4e6814-42
0.327
MAR-TRE-3e4e6814-4
0.325
MAR-TRE-b77b7921-11
0.324
MAR-TRE-b77b7921-54
0.324
MAR-TRE-b77b7921-43
0.322
MAR-TRE-74c6519b-10
0.321
MAR-TRE-3e4e6814-86
0.321
MAR-TRE-b77b7921-32
0.321
MAR-TRE-7f7bb9f0-39
0.320
MAR-TRE-3e4e6814-26
0.319
MAR-TRE-b77b7921-64
0.319
MAR-TRE-04c86cea-3
0.319
MAR-TRE-f6f5f473-22
0.319
MAR-TRE-4b834d9a-54
0.319
MAR-TRE-4b834d9a-39
0.318
MAR-TRE-b77b7921-45
0.316
MAR-TRE-d0525fbf-28
0.315
MAR-TRE-04c86cea-21
0.315
MAR-TRE-3e4e6814-18
0.315
MAR-TRE-3e4e6814-5
0.314
MAR-TRE-d0525fbf-7
0.314
MAR-TRE-4b834d9a-15
0.313
MAR-TRE-b77b7921-29
0.313
MAR-TRE-04c86cea-45
0.312
MAR-TRE-7f7bb9f0-17
0.311
MAR-TRE-04c86cea-33
0.311
MAR-TRE-b77b7921-23
0.310
MAR-TRE-d0525fbf-39
0.310
MAR-TRE-3e4e6814-60
0.310
MAR-TRE-74c6519b-9
0.310