Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)NCc3ccc(Cl)cc3)c3cccnc3n2n1 |
MW: | 381.1 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-739 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-4b834d9a-18
0.802
MAR-TRE-3e4e6814-14
0.787
MAR-TRE-4b834d9a-22
0.762
MAR-TRE-b77b7921-5
0.716
MAR-TRE-d0525fbf-22
0.678
MAR-TRE-4b834d9a-47
0.659
MAR-TRE-d0525fbf-38
0.637
MAR-TRE-74c6519b-60
0.622
MAR-TRE-67513f76-76
0.593
MAR-TRE-74c6519b-3
0.584
MAR-TRE-67513f76-52
0.581
MAR-TRE-b77b7921-90
0.581
MAR-TRE-4b834d9a-6
0.576
MAR-TRE-4b834d9a-13
0.576
MAR-TRE-b77b7921-7
0.573
MAR-TRE-7f7bb9f0-93
0.571
MAR-TRE-9c797165-92
0.571
MAR-TRE-04c86cea-6
0.558
MAR-TRE-b77b7921-8
0.551
MAR-TRE-4b834d9a-4
0.542
MAR-TRE-4b834d9a-83
0.536
MAR-TRE-04c86cea-36
0.526
MAR-TRE-f6f5f473-16
0.515
MAR-TRE-74c6519b-73
0.511
MAR-TRE-f6f5f473-66
0.511
MAR-TRE-04c86cea-21
0.511
MAR-TRE-d0525fbf-9
0.500
MAR-TRE-b77b7921-10
0.495
MAR-TRE-4b834d9a-35
0.495
MAR-TRE-b77b7921-54
0.484
MAR-TRE-3e4e6814-37
0.475
MAR-TRE-04c86cea-73
0.475
MAR-TRE-74c6519b-6
0.474
MAR-TRE-4b834d9a-39
0.473
MAR-TRE-b77b7921-26
0.466
MAR-TRE-04c86cea-4
0.465
MAR-TRE-b77b7921-19
0.462
MAR-TRE-3e4e6814-5
0.457
MAR-TRE-74c6519b-5
0.455
MAR-TRE-b77b7921-3
0.455
MAR-TRE-04c86cea-1
0.455
MAR-TRE-f6f5f473-43
0.455
MAR-TRE-4b834d9a-14
0.455
MAR-TRE-b77b7921-4
0.455
MAR-TRE-d0525fbf-5
0.448
MAR-TRE-f6f5f473-88
0.446
MAR-TRE-4b834d9a-12
0.441
MAR-TRE-3e4e6814-12
0.439
MAR-TRE-04c86cea-27
0.438
MAR-TRE-74c6519b-27
0.434
MAR-TRE-f6f5f473-34
0.434
MAR-TRE-b77b7921-11
0.433
MAR-TRE-74c6519b-25
0.429
MAR-TRE-4b834d9a-11
0.423
MAR-TRE-74c6519b-30
0.422
MAR-TRE-f6f5f473-17
0.422
MAR-TRE-4b834d9a-3
0.420
MAR-TRE-b77b7921-84
0.419
MAR-TRE-3e4e6814-21
0.417
MAR-TRE-b77b7921-2
0.417
MAR-TRE-f6f5f473-44
0.417
MAR-TRE-4b834d9a-10
0.415
MAR-TRE-f6f5f473-59
0.415
MAR-TRE-f6f5f473-62
0.415
MAR-TRE-4b834d9a-2
0.414
MAR-TRE-04c86cea-56
0.413
MAR-TRE-4b834d9a-25
0.410
MAR-TRE-d0525fbf-39
0.410
MAR-TRE-3e4e6814-7
0.408
MAR-TRE-04c86cea-63
0.408
MAR-TRE-f6f5f473-70
0.408
MAR-TRE-f6f5f473-55
0.406
MAR-TRE-4b834d9a-60
0.404
MAR-TRE-7f7bb9f0-7
0.404
MAR-TRE-67513f76-2
0.402
MAR-TRE-74c6519b-39
0.402
MAR-TRE-04c86cea-74
0.402
MAR-TRE-74c6519b-8
0.400
MAR-TRE-74c6519b-88
0.400
MAR-TRE-74c6519b-64
0.398
MAR-TRE-67513f76-27
0.398
MAR-TRE-4b834d9a-95
0.398
MAR-TRE-4b834d9a-55
0.398
MAR-TRE-d0525fbf-94
0.396
MAR-TRE-4b834d9a-21
0.396
MAR-TRE-04c86cea-52
0.392
MAR-TRE-f6f5f473-20
0.392
MAR-TRE-7f7bb9f0-17
0.392
MAR-TRE-7f7bb9f0-85
0.392
MAR-TRE-f6f5f473-96
0.389
MAR-TRE-04c86cea-80
0.388
MAR-TRE-f6f5f473-94
0.388
MAR-TRE-74c6519b-61
0.387
MAR-TRE-d0525fbf-37
0.387
MAR-TRE-d0525fbf-6
0.385
MAR-TRE-74c6519b-7
0.385
MAR-TRE-04c86cea-12
0.385
MAR-TRE-f6f5f473-82
0.385
MAR-TRE-4b834d9a-99
0.380
MAR-TRE-74c6519b-78
0.380