Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)Nc3ccc(F)c(C)c3)c3cccnc3n2n1 |
MW: | 365.13 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.29 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-680 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-67513f76-76
0.825
MAR-TRE-7f7bb9f0-93
0.756
MAR-TRE-9c797165-92
0.714
MAR-TRE-b77b7921-90
0.682
MAR-TRE-4b834d9a-5
0.581
MAR-TRE-4b834d9a-18
0.581
MAR-TRE-4b834d9a-83
0.579
MAR-TRE-74c6519b-3
0.578
MAR-TRE-3e4e6814-14
0.565
MAR-TRE-4b834d9a-47
0.564
MAR-TRE-4b834d9a-22
0.552
MAR-TRE-74c6519b-60
0.547
MAR-TRE-d0525fbf-38
0.531
MAR-TRE-d0525fbf-22
0.520
MAR-TRE-74c6519b-64
0.520
MAR-TRE-f6f5f473-59
0.510
MAR-TRE-d0525fbf-94
0.505
MAR-TRE-f6f5f473-44
0.495
MAR-TRE-74c6519b-88
0.490
MAR-TRE-b77b7921-84
0.485
MAR-TRE-3e4e6814-37
0.471
MAR-TRE-b77b7921-7
0.407
MAR-TRE-b77b7921-5
0.407
MAR-TRE-f6f5f473-70
0.404
MAR-TRE-b77b7921-26
0.394
MAR-TRE-04c86cea-6
0.393
MAR-TRE-b77b7921-8
0.391
MAR-TRE-74c6519b-61
0.384
MAR-TRE-04c86cea-27
0.382
MAR-TRE-b77b7921-19
0.381
MAR-TRE-b77b7921-10
0.374
MAR-TRE-67513f76-23
0.369
MAR-TRE-7f7bb9f0-5
0.345
MAR-TRE-9c797165-100
0.339
MAR-TRE-4b834d9a-99
0.337
MAR-TRE-7f7bb9f0-9
0.336
MAR-TRE-7f7bb9f0-40
0.336
MAR-TRE-4b834d9a-33
0.333
MAR-TRE-4b834d9a-15
0.333
MAR-TRE-d0525fbf-5
0.330
MAR-TRE-d0525fbf-49
0.328
MAR-TRE-04c86cea-16
0.328
MAR-TRE-9c797165-36
0.327
MAR-TRE-d0525fbf-4
0.325
MAR-TRE-04c86cea-74
0.325
MAR-TRE-7f7bb9f0-7
0.324
MAR-TRE-9c797165-89
0.324
MAR-TRE-9c797165-15
0.324
MAR-TRE-74c6519b-99
0.322
MAR-TRE-d0525fbf-7
0.322
MAR-TRE-3e4e6814-4
0.322
MAR-TRE-4b834d9a-21
0.319
MAR-TRE-4b834d9a-14
0.318
MAR-TRE-4b834d9a-2
0.318
MAR-TRE-9c797165-45
0.317
MAR-TRE-67513f76-2
0.317
MAR-TRE-74c6519b-73
0.317
MAR-TRE-3e4e6814-19
0.316
MAR-TRE-4b834d9a-6
0.315
MAR-TRE-3e4e6814-48
0.315
MAR-TRE-4b834d9a-25
0.315
MAR-TRE-67513f76-94
0.314
MAR-TRE-67513f76-27
0.314
MAR-TRE-d0525fbf-11
0.313
MAR-TRE-d0525fbf-56
0.313
MAR-TRE-04c86cea-73
0.312
MAR-TRE-b77b7921-2
0.312
MAR-TRE-4b834d9a-84
0.311
MAR-TRE-74c6519b-78
0.311
MAR-TRE-4b834d9a-96
0.311
MAR-TRE-3e4e6814-1
0.311
MAR-TRE-74c6519b-16
0.310
MAR-TRE-4b834d9a-12
0.310
MAR-TRE-b77b7921-3
0.310
MAR-TRE-b77b7921-29
0.310
MAR-TRE-f6f5f473-12
0.310
MAR-TRE-3e4e6814-36
0.309
MAR-TRE-74c6519b-6
0.309
MAR-TRE-b77b7921-11
0.308
MAR-TRE-7f7bb9f0-57
0.308
MAR-TRE-f6f5f473-66
0.308
MAR-TRE-7f7bb9f0-17
0.308
MAR-TRE-7f7bb9f0-85
0.308
MAR-TRE-3e4e6814-91
0.308
MAR-TRE-9c797165-18
0.308
MAR-TRE-3e4e6814-3
0.308
MAR-TRE-4b834d9a-36
0.307
MAR-TRE-b77b7921-23
0.307
MAR-TRE-3e4e6814-76
0.306
MAR-TRE-7f7bb9f0-52
0.306
MAR-TRE-74c6519b-25
0.306
MAR-TRE-74c6519b-71
0.306
MAR-TRE-74c6519b-75
0.306
MAR-TRE-9c797165-74
0.306
MAR-TRE-74c6519b-43
0.305
MAR-TRE-4b834d9a-7
0.305
MAR-TRE-67513f76-18
0.305
MAR-TRE-7f7bb9f0-39
0.304
MAR-TRE-4b834d9a-37
0.304
MAR-TRE-4b834d9a-13
0.304