Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)NCc3ccc(F)cc3)c3cccnc3n2n1 |
MW: | 365.13 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 1.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-736 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-4b834d9a-5
0.802
MAR-TRE-3e4e6814-14
0.787
MAR-TRE-b77b7921-7
0.716
MAR-TRE-4b834d9a-22
0.701
MAR-TRE-7f7bb9f0-93
0.682
MAR-TRE-4b834d9a-47
0.678
MAR-TRE-d0525fbf-22
0.678
MAR-TRE-d0525fbf-38
0.656
MAR-TRE-9c797165-92
0.625
MAR-TRE-74c6519b-60
0.622
MAR-TRE-67513f76-76
0.593
MAR-TRE-04c86cea-73
0.587
MAR-TRE-74c6519b-3
0.584
MAR-TRE-4b834d9a-14
0.582
MAR-TRE-67513f76-52
0.581
MAR-TRE-b77b7921-5
0.573
MAR-TRE-b77b7921-90
0.564
MAR-TRE-04c86cea-6
0.558
MAR-TRE-f6f5f473-17
0.543
MAR-TRE-4b834d9a-11
0.542
MAR-TRE-4b834d9a-83
0.536
MAR-TRE-4b834d9a-60
0.527
MAR-TRE-04c86cea-63
0.526
MAR-TRE-74c6519b-73
0.511
MAR-TRE-04c86cea-52
0.511
MAR-TRE-74c6519b-30
0.510
MAR-TRE-b77b7921-8
0.505
MAR-TRE-d0525fbf-37
0.500
MAR-TRE-b77b7921-10
0.495
MAR-TRE-f6f5f473-66
0.495
MAR-TRE-74c6519b-6
0.490
MAR-TRE-b77b7921-3
0.485
MAR-TRE-b77b7921-54
0.484
MAR-TRE-b77b7921-26
0.480
MAR-TRE-b77b7921-19
0.476
MAR-TRE-3e4e6814-37
0.475
MAR-TRE-4b834d9a-39
0.473
MAR-TRE-b77b7921-4
0.469
MAR-TRE-4b834d9a-6
0.465
MAR-TRE-4b834d9a-35
0.465
MAR-TRE-7f7bb9f0-7
0.460
MAR-TRE-4b834d9a-2
0.458
MAR-TRE-3e4e6814-5
0.457
MAR-TRE-74c6519b-5
0.455
MAR-TRE-04c86cea-1
0.455
MAR-TRE-f6f5f473-43
0.455
MAR-TRE-4b834d9a-25
0.454
MAR-TRE-3e4e6814-12
0.454
MAR-TRE-4b834d9a-21
0.451
MAR-TRE-04c86cea-4
0.451
MAR-TRE-4b834d9a-13
0.450
MAR-TRE-3e4e6814-73
0.449
MAR-TRE-f6f5f473-88
0.446
MAR-TRE-67513f76-11
0.444
MAR-TRE-74c6519b-2
0.442
MAR-TRE-04c86cea-27
0.438
MAR-TRE-d0525fbf-94
0.437
MAR-TRE-74c6519b-27
0.434
MAR-TRE-f6f5f473-34
0.434
MAR-TRE-d0525fbf-5
0.434
MAR-TRE-b77b7921-11
0.433
MAR-TRE-74c6519b-70
0.433
MAR-TRE-b77b7921-84
0.433
MAR-TRE-b77b7921-2
0.431
MAR-TRE-f6f5f473-62
0.429
MAR-TRE-74c6519b-25
0.429
MAR-TRE-04c86cea-2
0.427
MAR-TRE-74c6519b-64
0.425
MAR-TRE-4b834d9a-4
0.423
MAR-TRE-d0525fbf-1
0.423
MAR-TRE-d0525fbf-70
0.421
MAR-TRE-4b834d9a-3
0.420
MAR-TRE-7f7bb9f0-70
0.419
MAR-TRE-74c6519b-1
0.419
MAR-TRE-4b834d9a-69
0.417
MAR-TRE-3e4e6814-21
0.417
MAR-TRE-d0525fbf-68
0.417
MAR-TRE-d0525fbf-4
0.415
MAR-TRE-4b834d9a-12
0.413
MAR-TRE-74c6519b-8
0.413
MAR-TRE-04c86cea-56
0.413
MAR-TRE-b77b7921-6
0.411
MAR-TRE-d0525fbf-7
0.411
MAR-TRE-7f7bb9f0-5
0.411
MAR-TRE-d0525fbf-39
0.410
MAR-TRE-3e4e6814-7
0.408
MAR-TRE-04c86cea-36
0.408
MAR-TRE-f6f5f473-70
0.408
MAR-TRE-4b834d9a-20
0.407
MAR-TRE-f6f5f473-55
0.406
MAR-TRE-f6f5f473-22
0.406
MAR-TRE-9c797165-85
0.404
MAR-TRE-f6f5f473-44
0.404
MAR-TRE-67513f76-2
0.402
MAR-TRE-74c6519b-39
0.402
MAR-TRE-7f7bb9f0-9
0.402
MAR-TRE-d0525fbf-11
0.402
MAR-TRE-f6f5f473-59
0.402
MAR-TRE-04c86cea-74
0.402
MAR-TRE-74c6519b-61
0.400