Molecular Properties | |
SMILES: | CCc1cccc(NC(=O)Cn2c(=O)c3cc(C)nn3c3ncccc32)c1 |
MW: | 361.15 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8346521724 |
MolPort: | MolPort-010-930-660 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-f6f5f473-44
0.730
MAR-TRE-67513f76-76
0.698
MAR-TRE-67513f76-52
0.682
MAR-TRE-7f7bb9f0-93
0.674
MAR-TRE-9c797165-92
0.674
MAR-TRE-3e4e6814-14
0.600
MAR-TRE-4b834d9a-22
0.585
MAR-TRE-4b834d9a-5
0.581
MAR-TRE-74c6519b-60
0.581
MAR-TRE-4b834d9a-83
0.579
MAR-TRE-74c6519b-3
0.578
MAR-TRE-d0525fbf-22
0.567
MAR-TRE-4b834d9a-18
0.564
MAR-TRE-4b834d9a-47
0.564
MAR-TRE-f6f5f473-59
0.557
MAR-TRE-74c6519b-64
0.535
MAR-TRE-74c6519b-88
0.535
MAR-TRE-d0525fbf-38
0.531
MAR-TRE-d0525fbf-94
0.475
MAR-TRE-3e4e6814-37
0.471
MAR-TRE-74c6519b-31
0.461
MAR-TRE-04c86cea-42
0.443
MAR-TRE-b77b7921-84
0.442
MAR-TRE-04c86cea-6
0.419
MAR-TRE-b77b7921-8
0.417
MAR-TRE-b77b7921-10
0.411
MAR-TRE-b77b7921-5
0.407
MAR-TRE-04c86cea-27
0.407
MAR-TRE-f6f5f473-70
0.404
MAR-TRE-74c6519b-61
0.396
MAR-TRE-b77b7921-7
0.394
MAR-TRE-b77b7921-26
0.394
MAR-TRE-3159af1a-47
0.385
MAR-TRE-b77b7921-19
0.381
MAR-TRE-9c797165-36
0.368
MAR-TRE-74c6519b-25
0.356
MAR-TRE-3e4e6814-29
0.355
MAR-TRE-3e4e6814-83
0.354
MAR-TRE-3e4e6814-91
0.354
MAR-TRE-b77b7921-60
0.351
MAR-TRE-9c797165-89
0.350
MAR-TRE-b77b7921-54
0.347
MAR-TRE-b77b7921-11
0.346
MAR-TRE-b77b7921-65
0.345
MAR-TRE-74c6519b-73
0.343
MAR-TRE-4b834d9a-25
0.340
MAR-TRE-3e4e6814-5
0.337
MAR-TRE-4b834d9a-3
0.336
MAR-TRE-f6f5f473-40
0.336
MAR-TRE-d0525fbf-58
0.333
MAR-TRE-74c6519b-7
0.333
MAR-TRE-74c6519b-87
0.333
MAR-TRE-74c6519b-99
0.333
MAR-TRE-f6f5f473-66
0.333
MAR-TRE-3e4e6814-3
0.333
MAR-TRE-d0525fbf-48
0.330
MAR-TRE-b77b7921-4
0.330
MAR-TRE-74c6519b-75
0.330
MAR-TRE-4b834d9a-2
0.330
MAR-TRE-04c86cea-16
0.328
MAR-TRE-3e4e6814-72
0.327
MAR-TRE-67513f76-27
0.327
MAR-TRE-f6f5f473-92
0.325
MAR-TRE-74c6519b-62
0.325
MAR-TRE-04c86cea-43
0.325
MAR-TRE-4b834d9a-10
0.325
MAR-TRE-4b834d9a-96
0.324
MAR-TRE-3e4e6814-1
0.324
MAR-TRE-f6f5f473-3
0.322
MAR-TRE-4b834d9a-12
0.321
MAR-TRE-74c6519b-8
0.321
MAR-TRE-74c6519b-5
0.321
MAR-TRE-7f7bb9f0-57
0.321
MAR-TRE-7f7bb9f0-85
0.320
MAR-TRE-4b834d9a-20
0.319
MAR-TRE-4b834d9a-21
0.319
MAR-TRE-3e4e6814-76
0.318
MAR-TRE-67513f76-23
0.318
MAR-TRE-67513f76-2
0.317
MAR-TRE-7f7bb9f0-39
0.317
MAR-TRE-4b834d9a-93
0.316
MAR-TRE-3e4e6814-7
0.315
MAR-TRE-74c6519b-74
0.315
MAR-TRE-3e4e6814-48
0.315
MAR-TRE-3e4e6814-12
0.315
MAR-TRE-4b834d9a-40
0.314
MAR-TRE-04c86cea-74
0.313
MAR-TRE-d0525fbf-56
0.313
MAR-TRE-f6f5f473-72
0.313
MAR-TRE-04c86cea-73
0.312
MAR-TRE-f6f5f473-54
0.312
MAR-TRE-4b834d9a-87
0.312
MAR-TRE-b77b7921-2
0.312
MAR-TRE-74c6519b-28
0.312
MAR-TRE-74c6519b-27
0.312
MAR-TRE-74c6519b-78
0.311
MAR-TRE-9c797165-15
0.311
MAR-TRE-3e4e6814-32
0.310
MAR-TRE-74c6519b-6
0.309
MAR-TRE-04c86cea-80
0.309