Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)Nc3ccc(F)c(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: | ✗ |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-67513f76-52
0.825
MAR-TRE-7f7bb9f0-93
0.753
MAR-TRE-9c797165-92
0.732
MAR-TRE-b77b7921-90
0.698
MAR-TRE-4b834d9a-18
0.593
MAR-TRE-4b834d9a-5
0.593
MAR-TRE-4b834d9a-83
0.591
MAR-TRE-74c6519b-3
0.591
MAR-TRE-3e4e6814-14
0.578
MAR-TRE-4b834d9a-47
0.576
MAR-TRE-4b834d9a-22
0.564
MAR-TRE-74c6519b-60
0.559
MAR-TRE-d0525fbf-38
0.542
MAR-TRE-74c6519b-64
0.531
MAR-TRE-d0525fbf-22
0.531
MAR-TRE-f6f5f473-59
0.520
MAR-TRE-d0525fbf-94
0.515
MAR-TRE-f6f5f473-44
0.505
MAR-TRE-74c6519b-88
0.500
MAR-TRE-b77b7921-84
0.495
MAR-TRE-3e4e6814-37
0.480
MAR-TRE-b77b7921-5
0.415
MAR-TRE-b77b7921-7
0.415
MAR-TRE-f6f5f473-70
0.412
MAR-TRE-b77b7921-26
0.402
MAR-TRE-04c86cea-6
0.400
MAR-TRE-b77b7921-8
0.398
MAR-TRE-74c6519b-61
0.391
MAR-TRE-04c86cea-27
0.389
MAR-TRE-b77b7921-19
0.387
MAR-TRE-b77b7921-10
0.381
MAR-TRE-67513f76-23
0.363
MAR-TRE-9c797165-100
0.345
MAR-TRE-4b834d9a-99
0.343
MAR-TRE-7f7bb9f0-40
0.342
MAR-TRE-4b834d9a-33
0.340
MAR-TRE-d0525fbf-49
0.333
MAR-TRE-04c86cea-16
0.333
MAR-TRE-9c797165-36
0.333
MAR-TRE-04c86cea-74
0.330
MAR-TRE-7f7bb9f0-9
0.330
MAR-TRE-74c6519b-99
0.328
MAR-TRE-7f7bb9f0-5
0.327
MAR-TRE-4b834d9a-15
0.327
MAR-TRE-d0525fbf-5
0.325
MAR-TRE-4b834d9a-2
0.324
MAR-TRE-74c6519b-73
0.324
MAR-TRE-67513f76-2
0.324
MAR-TRE-4b834d9a-25
0.321
MAR-TRE-67513f76-27
0.320
MAR-TRE-d0525fbf-4
0.319
MAR-TRE-d0525fbf-56
0.319
MAR-TRE-04c86cea-73
0.318
MAR-TRE-7f7bb9f0-7
0.318
MAR-TRE-9c797165-89
0.317
MAR-TRE-4b834d9a-96
0.317
MAR-TRE-3e4e6814-1
0.317
MAR-TRE-9c797165-15
0.317
MAR-TRE-3e4e6814-4
0.316
MAR-TRE-f6f5f473-12
0.315
MAR-TRE-9c797165-18
0.315
MAR-TRE-f6f5f473-66
0.314
MAR-TRE-b77b7921-11
0.314
MAR-TRE-7f7bb9f0-57
0.314
MAR-TRE-6a44bbf2-16
0.314
MAR-TRE-3e4e6814-3
0.314
MAR-TRE-7f7bb9f0-17
0.314
MAR-TRE-7f7bb9f0-85
0.314
MAR-TRE-3e4e6814-91
0.313
MAR-TRE-4b834d9a-21
0.312
MAR-TRE-3e4e6814-76
0.312
MAR-TRE-4b834d9a-14
0.312
MAR-TRE-c317dd82-63
0.312
MAR-TRE-74c6519b-25
0.311
MAR-TRE-74c6519b-75
0.311
MAR-TRE-9c797165-45
0.311
MAR-TRE-67513f76-18
0.311
MAR-TRE-4b834d9a-7
0.311
MAR-TRE-74c6519b-43
0.310
MAR-TRE-7f7bb9f0-39
0.310
MAR-TRE-3e4e6814-19
0.310
MAR-TRE-3e4e6814-48
0.309
MAR-TRE-4b834d9a-6
0.309
MAR-TRE-4b834d9a-13
0.309
MAR-TRE-67513f76-94
0.308
MAR-TRE-4b834d9a-40
0.308
MAR-TRE-b77b7921-20
0.307
MAR-TRE-d0525fbf-11
0.307
MAR-TRE-4b834d9a-9
0.307
MAR-TRE-74c6519b-28
0.306
MAR-TRE-b77b7921-2
0.306
MAR-TRE-f6f5f473-40
0.306
MAR-TRE-4b834d9a-3
0.306
MAR-TRE-74c6519b-87
0.305
MAR-TRE-74c6519b-78
0.305
MAR-TRE-4b834d9a-84
0.305
MAR-TRE-74c6519b-16
0.304
MAR-TRE-74c6519b-21
0.304
MAR-TRE-d0525fbf-7
0.304
MAR-TRE-3e4e6814-5
0.304