Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)Nc3cc(F)cc(F)c3)c3cccnc3n2n1 |
MW: | 369.1 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.29 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-675 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-7f7bb9f0-93
0.772
MAR-TRE-67513f76-76
0.732
MAR-TRE-67513f76-52
0.714
MAR-TRE-d0525fbf-94
0.706
MAR-TRE-b77b7921-90
0.674
MAR-TRE-4b834d9a-18
0.625
MAR-TRE-74c6519b-3
0.605
MAR-TRE-4b834d9a-83
0.604
MAR-TRE-3e4e6814-14
0.591
MAR-TRE-4b834d9a-47
0.589
MAR-TRE-74c6519b-60
0.571
MAR-TRE-4b834d9a-5
0.571
MAR-TRE-4b834d9a-22
0.559
MAR-TRE-d0525fbf-22
0.558
MAR-TRE-d0525fbf-38
0.553
MAR-TRE-74c6519b-64
0.542
MAR-TRE-f6f5f473-59
0.500
MAR-TRE-b77b7921-84
0.490
MAR-TRE-3e4e6814-37
0.490
MAR-TRE-f6f5f473-44
0.485
MAR-TRE-74c6519b-88
0.480
MAR-TRE-b77b7921-7
0.437
MAR-TRE-f6f5f473-70
0.420
MAR-TRE-b77b7921-26
0.410
MAR-TRE-04c86cea-6
0.408
MAR-TRE-b77b7921-10
0.400
MAR-TRE-74c6519b-61
0.398
MAR-TRE-b77b7921-5
0.396
MAR-TRE-04c86cea-27
0.396
MAR-TRE-b77b7921-19
0.394
MAR-TRE-b77b7921-8
0.393
MAR-TRE-7f7bb9f0-7
0.375
MAR-TRE-67513f76-23
0.370
MAR-TRE-04c86cea-73
0.349
MAR-TRE-67513f76-2
0.343
MAR-TRE-4b834d9a-2
0.343
MAR-TRE-9c797165-36
0.340
MAR-TRE-67513f76-27
0.340
MAR-TRE-4b834d9a-25
0.340
MAR-TRE-04c86cea-16
0.339
MAR-TRE-9c797165-100
0.339
MAR-TRE-4b834d9a-96
0.337
MAR-TRE-f6f5f473-66
0.333
MAR-TRE-3e4e6814-91
0.330
MAR-TRE-4b834d9a-21
0.330
MAR-TRE-4b834d9a-14
0.330
MAR-TRE-74c6519b-75
0.330
MAR-TRE-74c6519b-73
0.330
MAR-TRE-7f7bb9f0-3
0.327
MAR-TRE-04c86cea-74
0.324
MAR-TRE-7f7bb9f0-9
0.324
MAR-TRE-d0525fbf-4
0.324
MAR-TRE-d0525fbf-11
0.324
MAR-TRE-f6f5f473-40
0.324
MAR-TRE-74c6519b-28
0.324
MAR-TRE-9c797165-85
0.324
MAR-TRE-4b834d9a-3
0.324
MAR-TRE-4b834d9a-99
0.324
MAR-TRE-9c797165-89
0.324
MAR-TRE-3e4e6814-1
0.323
MAR-TRE-9c797165-15
0.323
MAR-TRE-9c797165-18
0.322
MAR-TRE-7f7bb9f0-5
0.321
MAR-TRE-d0525fbf-7
0.321
MAR-TRE-4b834d9a-33
0.320
MAR-TRE-b77b7921-11
0.320
MAR-TRE-7f7bb9f0-57
0.320
MAR-TRE-7f7bb9f0-17
0.320
MAR-TRE-7f7bb9f0-78
0.320
MAR-TRE-3e4e6814-3
0.320
MAR-TRE-7f7bb9f0-85
0.320
MAR-TRE-d0525fbf-48
0.318
MAR-TRE-3e4e6814-76
0.318
MAR-TRE-74c6519b-25
0.317
MAR-TRE-4b834d9a-7
0.317
MAR-TRE-9c797165-45
0.317
MAR-TRE-67513f76-18
0.317
MAR-TRE-7f7bb9f0-39
0.316
MAR-TRE-f6f5f473-22
0.315
MAR-TRE-74c6519b-30
0.315
MAR-TRE-f6f5f473-17
0.315
MAR-TRE-4b834d9a-40
0.314
MAR-TRE-67513f76-94
0.314
MAR-TRE-b77b7921-20
0.312
MAR-TRE-f6f5f473-54
0.312
MAR-TRE-4b834d9a-84
0.311
MAR-TRE-74c6519b-78
0.311
MAR-TRE-3e4e6814-5
0.310
MAR-TRE-3e4e6814-4
0.310
MAR-TRE-74c6519b-21
0.310
MAR-TRE-b77b7921-3
0.309
MAR-TRE-b77b7921-29
0.309
MAR-TRE-4b834d9a-15
0.309
MAR-TRE-74c6519b-6
0.308
MAR-TRE-3e4e6814-36
0.308
MAR-TRE-04c86cea-80
0.308
MAR-TRE-4b834d9a-20
0.307
MAR-TRE-d0525fbf-5
0.307
MAR-TRE-b77b7921-54
0.307
MAR-TRE-4b834d9a-11
0.306