Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)NCc3cccs3)c3cccnc3n2n1 |
MW: | 353.09 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 1.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-740 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-b77b7921-26
0.716
MAR-TRE-3e4e6814-14
0.682
MAR-TRE-4b834d9a-18
0.678
MAR-TRE-4b834d9a-5
0.659
MAR-TRE-d0525fbf-38
0.656
MAR-TRE-4b834d9a-22
0.644
MAR-TRE-d0525fbf-22
0.624
MAR-TRE-4b834d9a-7
0.619
MAR-TRE-4b834d9a-40
0.612
MAR-TRE-7f7bb9f0-93
0.607
MAR-TRE-74c6519b-60
0.604
MAR-TRE-9c797165-92
0.589
MAR-TRE-74c6519b-3
0.584
MAR-TRE-67513f76-76
0.576
MAR-TRE-4b834d9a-37
0.576
MAR-TRE-4b834d9a-61
0.576
MAR-TRE-4b834d9a-83
0.568
MAR-TRE-b77b7921-90
0.564
MAR-TRE-67513f76-52
0.564
MAR-TRE-d0525fbf-41
0.542
MAR-TRE-b77b7921-7
0.480
MAR-TRE-04c86cea-6
0.480
MAR-TRE-b77b7921-19
0.476
MAR-TRE-3e4e6814-37
0.475
MAR-TRE-b77b7921-5
0.466
MAR-TRE-b77b7921-8
0.462
MAR-TRE-b77b7921-10
0.454
MAR-TRE-04c86cea-27
0.425
MAR-TRE-b77b7921-84
0.419
MAR-TRE-67513f76-2
0.417
MAR-TRE-f6f5f473-59
0.415
MAR-TRE-67513f76-27
0.412
MAR-TRE-d0525fbf-94
0.410
MAR-TRE-74c6519b-78
0.408
MAR-TRE-f6f5f473-70
0.408
MAR-TRE-7f7bb9f0-17
0.406
MAR-TRE-7f7bb9f0-85
0.406
MAR-TRE-f6f5f473-44
0.404
MAR-TRE-74c6519b-73
0.402
MAR-TRE-74c6519b-61
0.400
MAR-TRE-74c6519b-88
0.400
MAR-TRE-b77b7921-29
0.400
MAR-TRE-74c6519b-64
0.398
MAR-TRE-f6f5f473-66
0.390
MAR-TRE-b77b7921-11
0.390
MAR-TRE-74c6519b-25
0.386
MAR-TRE-74c6519b-10
0.385
MAR-TRE-4b834d9a-95
0.384
MAR-TRE-4b834d9a-55
0.384
MAR-TRE-3e4e6814-5
0.381
MAR-TRE-4b834d9a-99
0.380
MAR-TRE-d0525fbf-28
0.379
MAR-TRE-4b834d9a-3
0.379
MAR-TRE-b77b7921-54
0.378
MAR-TRE-04c86cea-73
0.377
MAR-TRE-4b834d9a-8
0.376
MAR-TRE-4b834d9a-33
0.376
MAR-TRE-74c6519b-6
0.375
MAR-TRE-04c86cea-66
0.373
MAR-TRE-d0525fbf-43
0.373
MAR-TRE-4b834d9a-2
0.373
MAR-TRE-d0525fbf-23
0.371
MAR-TRE-4b834d9a-14
0.371
MAR-TRE-74c6519b-9
0.370
MAR-TRE-b77b7921-23
0.370
MAR-TRE-d0525fbf-39
0.370
MAR-TRE-4b834d9a-39
0.370
MAR-TRE-3e4e6814-12
0.369
MAR-TRE-4b834d9a-25
0.369
MAR-LAB-ca4662a6-8
0.368
MAR-TRE-9c797165-25
0.368
MAR-TRE-4b834d9a-93
0.367
MAR-TRE-74c6519b-27
0.365
MAR-TRE-b77b7921-2
0.364
MAR-TRE-7f7bb9f0-7
0.364
MAR-TRE-04c86cea-74
0.364
MAR-TRE-7f7bb9f0-9
0.364
MAR-TRE-d0525fbf-4
0.364
MAR-TRE-d0525fbf-11
0.364
MAR-TRE-b77b7921-44
0.362
MAR-TRE-74c6519b-5
0.361
MAR-TRE-b77b7921-3
0.361
MAR-TRE-4b834d9a-15
0.361
MAR-TRE-74c6519b-8
0.361
MAR-TRE-4b834d9a-12
0.361
MAR-TRE-04c86cea-12
0.360
MAR-TRE-7f7bb9f0-5
0.360
MAR-TRE-d0525fbf-7
0.360
MAR-TRE-9c797165-45
0.360
MAR-TRE-67513f76-18
0.360
MAR-TRE-3e4e6814-86
0.358
MAR-TRE-74c6519b-92
0.358
MAR-TRE-b77b7921-4
0.358
MAR-TRE-f6f5f473-43
0.358
MAR-TRE-04c86cea-4
0.358
MAR-TRE-d0525fbf-61
0.358
MAR-TRE-4b834d9a-21
0.358
MAR-TRE-f6f5f473-68
0.355
MAR-TRE-4b834d9a-6
0.355
MAR-TRE-4b834d9a-13
0.355