Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)NC3CCCC3)c3cccnc3n2n1 |
MW: | 325.15 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.29 |
cLogP: | 1.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7242879006 |
MolPort: | MolPort-010-930-730 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-f6f5f473-70
0.687
MAR-TRE-74c6519b-61
0.637
MAR-TRE-7f7bb9f0-93
0.624
MAR-TRE-9c797165-92
0.605
MAR-TRE-3e4e6814-14
0.605
MAR-TRE-67513f76-76
0.591
MAR-TRE-4b834d9a-5
0.584
MAR-TRE-74c6519b-60
0.584
MAR-TRE-4b834d9a-18
0.584
MAR-TRE-4b834d9a-47
0.584
MAR-TRE-67513f76-52
0.578
MAR-TRE-b77b7921-90
0.578
MAR-TRE-4b834d9a-22
0.571
MAR-TRE-d0525fbf-38
0.565
MAR-TRE-4b834d9a-83
0.565
MAR-TRE-d0525fbf-22
0.553
MAR-TRE-74c6519b-71
0.552
MAR-TRE-3e4e6814-37
0.532
MAR-TRE-b77b7921-93
0.522
MAR-TRE-f6f5f473-54
0.516
MAR-TRE-f6f5f473-89
0.489
MAR-TRE-74c6519b-75
0.484
MAR-TRE-67513f76-94
0.483
MAR-TRE-3e4e6814-75
0.478
MAR-TRE-b77b7921-84
0.469
MAR-TRE-f6f5f473-59
0.465
MAR-TRE-d0525fbf-94
0.459
MAR-TRE-04c86cea-6
0.459
MAR-TRE-f6f5f473-44
0.451
MAR-TRE-74c6519b-88
0.447
MAR-TRE-74c6519b-64
0.446
MAR-TRE-b77b7921-5
0.446
MAR-TRE-b77b7921-26
0.446
MAR-TRE-b77b7921-7
0.446
MAR-TRE-04c86cea-27
0.446
MAR-TRE-b77b7921-19
0.442
MAR-TRE-b77b7921-8
0.441
MAR-TRE-b77b7921-10
0.434
MAR-TRE-b77b7921-13
0.414
MAR-TRE-04c86cea-16
0.396
MAR-TRE-04c86cea-8
0.392
MAR-TRE-f6f5f473-88
0.382
MAR-TRE-04c86cea-77
0.382
MAR-TRE-f6f5f473-43
0.376
MAR-TRE-f6f5f473-15
0.375
MAR-TRE-04c86cea-10
0.369
MAR-TRE-f6f5f473-72
0.368
MAR-TRE-b77b7921-16
0.366
MAR-TRE-3e4e6814-60
0.362
MAR-TRE-4b834d9a-84
0.357
MAR-TRE-f6f5f473-62
0.355
MAR-TRE-b77b7921-22
0.352
MAR-TRE-04c86cea-20
0.351
MAR-TRE-3159af1a-73
0.351
MAR-TRE-67513f76-91
0.350
MAR-TRE-3e4e6814-33
0.350
MAR-TRE-f6f5f473-82
0.350
MAR-TRE-9c797165-36
0.348
MAR-TRE-f6f5f473-53
0.347
MAR-TRE-f6f5f473-96
0.343
MAR-TRE-f6f5f473-45
0.343
MAR-TRE-b77b7921-59
0.340
MAR-TRE-04c86cea-56
0.340
MAR-TRE-f6f5f473-16
0.340
MAR-TRE-74c6519b-16
0.339
MAR-TRE-04c86cea-9
0.339
MAR-TRE-04c86cea-11
0.339
MAR-TRE-04c86cea-25
0.339
MAR-TRE-3e4e6814-69
0.337
MAR-TRE-7f7bb9f0-39
0.337
MAR-TRE-74c6519b-73
0.337
MAR-TRE-67513f76-2
0.337
MAR-TRE-04c86cea-72
0.336
MAR-TRE-f6f5f473-50
0.336
MAR-TRE-3e4e6814-25
0.336
MAR-TRE-04c86cea-89
0.336
MAR-TRE-67513f76-27
0.333
MAR-TRE-3e4e6814-19
0.333
MAR-TRE-04c86cea-36
0.333
MAR-TRE-f6f5f473-26
0.333
MAR-TRE-04c86cea-63
0.333
MAR-TRE-7f7bb9f0-34
0.330
MAR-TRE-9c797165-89
0.330
MAR-TRE-3159af1a-49
0.330
MAR-TRE-9c797165-15
0.330
MAR-TRE-3e4e6814-1
0.330
MAR-TRE-9c797165-18
0.329
MAR-TRE-04c86cea-80
0.327
MAR-TRE-74c6519b-39
0.327
MAR-TRE-7f7bb9f0-57
0.327
MAR-TRE-b77b7921-11
0.327
MAR-TRE-f6f5f473-66
0.327
MAR-TRE-7f7bb9f0-17
0.327
MAR-TRE-7f7bb9f0-85
0.327
MAR-TRE-3e4e6814-3
0.327
MAR-TRE-67513f76-62
0.324
MAR-TRE-3e4e6814-76
0.324
MAR-TRE-3e4e6814-86
0.324
MAR-TRE-74c6519b-92
0.324
MAR-TRE-9c797165-74
0.324