Molecular Properties | |
SMILES: | CCc1cccc(NC(=O)Cn2c(=O)c3cc(C4CC4)nn3c3ncccc32)c1 |
MW: | 387.17 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.29 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3449208921 |
MolPort: | MolPort-010-930-689 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-f6f5f473-59
0.784
MAR-TRE-74c6519b-64
0.756
MAR-TRE-74c6519b-88
0.750
MAR-TRE-b77b7921-90
0.730
MAR-TRE-d0525fbf-94
0.685
MAR-TRE-b77b7921-84
0.625
MAR-TRE-04c86cea-6
0.615
MAR-TRE-b77b7921-8
0.606
MAR-TRE-f6f5f473-70
0.600
MAR-TRE-b77b7921-5
0.596
MAR-TRE-04c86cea-27
0.596
MAR-TRE-b77b7921-10
0.592
MAR-TRE-b77b7921-7
0.580
MAR-TRE-b77b7921-26
0.580
MAR-TRE-b77b7921-19
0.558
MAR-TRE-67513f76-76
0.505
MAR-TRE-04c86cea-16
0.495
MAR-TRE-67513f76-52
0.495
MAR-TRE-7f7bb9f0-93
0.485
MAR-TRE-9c797165-92
0.485
MAR-TRE-74c6519b-3
0.451
MAR-TRE-4b834d9a-22
0.435
MAR-TRE-74c6519b-31
0.435
MAR-TRE-3e4e6814-14
0.429
MAR-TRE-04c86cea-42
0.420
MAR-TRE-4b834d9a-83
0.418
MAR-TRE-4b834d9a-5
0.417
MAR-TRE-74c6519b-60
0.417
MAR-TRE-74c6519b-61
0.412
MAR-TRE-d0525fbf-22
0.411
MAR-TRE-4b834d9a-18
0.404
MAR-TRE-4b834d9a-47
0.404
MAR-TRE-d0525fbf-38
0.381
MAR-TRE-3159af1a-47
0.376
MAR-TRE-74c6519b-75
0.349
MAR-TRE-3e4e6814-83
0.347
MAR-TRE-9c797165-36
0.347
MAR-TRE-3e4e6814-37
0.345
MAR-TRE-74c6519b-25
0.336
MAR-TRE-3e4e6814-29
0.336
MAR-TRE-3e4e6814-91
0.336
MAR-TRE-b77b7921-60
0.333
MAR-TRE-4b834d9a-10
0.331
MAR-TRE-f6f5f473-54
0.330
MAR-TRE-9c797165-89
0.330
MAR-TRE-74c6519b-7
0.328
MAR-TRE-d0525fbf-58
0.328
MAR-TRE-b77b7921-11
0.327
MAR-TRE-b77b7921-54
0.327
MAR-TRE-74c6519b-73
0.324
MAR-TRE-4b834d9a-25
0.321
MAR-TRE-67513f76-94
0.321
MAR-TRE-74c6519b-62
0.320
MAR-TRE-f6f5f473-72
0.319
MAR-TRE-4b834d9a-3
0.319
MAR-TRE-f6f5f473-89
0.319
MAR-TRE-4b834d9a-84
0.318
MAR-TRE-3e4e6814-5
0.318
MAR-TRE-b77b7921-65
0.317
MAR-TRE-74c6519b-87
0.317
MAR-TRE-74c6519b-99
0.317
MAR-TRE-b77b7921-22
0.316
MAR-TRE-4b834d9a-12
0.316
MAR-TRE-74c6519b-5
0.316
MAR-TRE-f6f5f473-66
0.315
MAR-TRE-4b834d9a-20
0.314
MAR-TRE-d0525fbf-48
0.314
MAR-TRE-b77b7921-4
0.313
MAR-TRE-f6f5f473-43
0.313
MAR-TRE-4b834d9a-2
0.312
MAR-TRE-74c6519b-71
0.312
MAR-TRE-3e4e6814-72
0.310
MAR-TRE-3e4e6814-7
0.310
MAR-TRE-04c86cea-43
0.308
MAR-TRE-7f7bb9f0-34
0.308
MAR-TRE-f6f5f473-96
0.308
MAR-TRE-f6f5f473-40
0.308
MAR-TRE-f6f5f473-88
0.308
MAR-TRE-b77b7921-93
0.307
MAR-TRE-04c86cea-20
0.306
MAR-TRE-f6f5f473-3
0.306
MAR-TRE-4b834d9a-96
0.306
MAR-TRE-74c6519b-8
0.305
MAR-TRE-b77b7921-16
0.304
MAR-TRE-3e4e6814-3
0.303
MAR-TRE-7f7bb9f0-85
0.303
MAR-TRE-4b834d9a-4
0.303
MAR-TRE-4b834d9a-21
0.303
MAR-TRE-d0525fbf-39
0.303
MAR-TRE-04c86cea-72
0.303
MAR-TRE-67513f76-91
0.302
MAR-TRE-67513f76-23
0.301
MAR-TRE-9c797165-100
0.301
MAR-TRE-4b834d9a-93
0.300
MAR-TRE-3e4e6814-48
0.299
MAR-TRE-74c6519b-74
0.299
MAR-TRE-7f7bb9f0-39
0.299
MAR-TRE-f6f5f473-92
0.298
MAR-TRE-3e4e6814-12
0.298
MAR-TRE-d0525fbf-56
0.298