Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)Nc3ccc(F)cc3)c3cccnc3n2n1 |
MW: | 351.11 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 81.29 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-673 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-9c797165-92
0.772
MAR-TRE-67513f76-52
0.756
MAR-TRE-67513f76-76
0.753
MAR-TRE-4b834d9a-18
0.682
MAR-TRE-b77b7921-90
0.674
MAR-TRE-74c6519b-3
0.624
MAR-TRE-4b834d9a-47
0.607
MAR-TRE-4b834d9a-83
0.604
MAR-TRE-3e4e6814-14
0.591
MAR-TRE-74c6519b-60
0.589
MAR-TRE-4b834d9a-5
0.571
MAR-TRE-d0525fbf-38
0.570
MAR-TRE-4b834d9a-22
0.559
MAR-TRE-d0525fbf-94
0.543
MAR-TRE-d0525fbf-22
0.542
MAR-TRE-74c6519b-64
0.526
MAR-TRE-3e4e6814-37
0.505
MAR-TRE-f6f5f473-59
0.500
MAR-TRE-74c6519b-88
0.495
MAR-TRE-b77b7921-84
0.490
MAR-TRE-f6f5f473-44
0.485
MAR-TRE-b77b7921-7
0.480
MAR-TRE-67513f76-23
0.473
MAR-TRE-b77b7921-26
0.423
MAR-TRE-f6f5f473-70
0.420
MAR-TRE-74c6519b-61
0.411
MAR-TRE-04c86cea-27
0.410
MAR-TRE-04c86cea-6
0.408
MAR-TRE-b77b7921-19
0.407
MAR-TRE-7f7bb9f0-77
0.406
MAR-TRE-4b834d9a-72
0.406
MAR-TRE-d0525fbf-76
0.402
MAR-TRE-d0525fbf-31
0.396
MAR-TRE-b77b7921-5
0.396
MAR-TRE-b77b7921-8
0.393
MAR-TRE-b77b7921-10
0.387
MAR-TRE-9c797165-100
0.376
MAR-TRE-04c86cea-73
0.375
MAR-TRE-4b834d9a-14
0.369
MAR-TRE-7f7bb9f0-78
0.361
MAR-TRE-f6f5f473-17
0.352
MAR-TRE-74c6519b-30
0.352
MAR-TRE-04c86cea-16
0.351
MAR-TRE-3e4e6814-75
0.350
MAR-TRE-9c797165-85
0.349
MAR-TRE-7f7bb9f0-7
0.349
CAS-DEP-751a2458-6
0.349
MAR-TRE-d0525fbf-4
0.349
MAR-TRE-d0525fbf-7
0.345
MAR-TRE-7f7bb9f0-5
0.345
MAR-TRE-3159af1a-18
0.343
MAR-TRE-9c797165-78
0.343
MAR-TRE-4b834d9a-2
0.343
MAR-TRE-4b834d9a-11
0.343
MAR-TRE-4b834d9a-21
0.343
MAR-TRE-9c797165-36
0.340
MAR-TRE-4b834d9a-25
0.340
MAR-TRE-3e4e6814-48
0.340
MAR-TRE-04c86cea-63
0.340
MAR-TRE-74c6519b-70
0.339
MAR-TRE-9c797165-15
0.337
MAR-TRE-9c797165-89
0.337
MAR-TRE-04c86cea-52
0.337
MAR-TRE-7f7bb9f0-9
0.336
MAR-TRE-d0525fbf-11
0.336
MAR-TRE-4b834d9a-60
0.333
MAR-TRE-74c6519b-87
0.333
MAR-TRE-74c6519b-86
0.333
MAR-TRE-9c797165-23
0.330
MAR-TRE-74c6519b-71
0.330
MAR-TRE-9c797165-45
0.330
MAR-TRE-67513f76-2
0.330
MAR-TRE-4b834d9a-7
0.330
MAR-TRE-74c6519b-73
0.330
MAR-TRE-d0525fbf-68
0.327
MAR-TRE-7f7bb9f0-70
0.327
MAR-TRE-4b834d9a-37
0.327
MAR-TRE-67513f76-27
0.327
MAR-TRE-67513f76-94
0.327
MAR-TRE-4b834d9a-40
0.327
MAR-TRE-6c5ef77a-66
0.326
MAR-TRE-04c86cea-67
0.324
MAR-TRE-d0525fbf-89
0.324
MAR-TRE-b77b7921-20
0.324
MAR-TRE-d0525fbf-21
0.324
MAR-TRE-4b834d9a-69
0.324
MAR-TRE-3e4e6814-73
0.324
MAR-TRE-4b834d9a-84
0.324
MAR-TRE-4b834d9a-99
0.324
MAR-TRE-4b834d9a-96
0.323
MAR-TRE-3e4e6814-1
0.323
MAR-TRE-9c797165-18
0.322
MAR-TRE-74c6519b-21
0.321
MAR-TRE-3e4e6814-4
0.321
MAR-TRE-7f7bb9f0-22
0.321
MAR-TRE-d0525fbf-17
0.321
MAR-TRE-d0525fbf-37
0.321
MAR-TRE-4b834d9a-15
0.321
MAR-TRE-b77b7921-3
0.321
MAR-TRE-67513f76-11
0.321