Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)Nc1cc(F)cc(F)c1 |
MW: | 395.12 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-930-701 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-74c6519b-64
0.779
MAR-TRE-f6f5f473-59
0.708
MAR-TRE-9c797165-92
0.706
MAR-TRE-b77b7921-84
0.697
MAR-TRE-f6f5f473-44
0.685
MAR-TRE-74c6519b-88
0.677
MAR-TRE-b77b7921-7
0.645
MAR-TRE-f6f5f473-70
0.633
MAR-TRE-04c86cea-6
0.613
MAR-TRE-b77b7921-26
0.611
MAR-TRE-b77b7921-5
0.594
MAR-TRE-04c86cea-27
0.594
MAR-TRE-b77b7921-8
0.588
MAR-TRE-b77b7921-10
0.574
MAR-TRE-b77b7921-19
0.570
MAR-TRE-7f7bb9f0-93
0.543
MAR-TRE-04c86cea-16
0.520
MAR-TRE-67513f76-76
0.515
MAR-TRE-67513f76-52
0.505
MAR-TRE-b77b7921-90
0.475
MAR-TRE-74c6519b-3
0.459
MAR-TRE-4b834d9a-18
0.437
MAR-TRE-4b834d9a-83
0.425
MAR-TRE-74c6519b-61
0.418
MAR-TRE-4b834d9a-47
0.410
MAR-TRE-3e4e6814-14
0.408
MAR-TRE-4b834d9a-22
0.402
MAR-TRE-74c6519b-60
0.396
MAR-TRE-4b834d9a-5
0.396
MAR-TRE-d0525fbf-22
0.391
MAR-TRE-d0525fbf-38
0.385
MAR-TRE-3e4e6814-37
0.348
MAR-TRE-7f7bb9f0-7
0.345
MAR-TRE-74c6519b-75
0.340
MAR-TRE-67513f76-23
0.340
MAR-TRE-9c797165-100
0.336
MAR-TRE-67513f76-94
0.324
MAR-TRE-04c86cea-73
0.321
MAR-TRE-f6f5f473-54
0.321
MAR-TRE-4b834d9a-84
0.321
MAR-TRE-3e4e6814-75
0.321
MAR-TRE-3e4e6814-91
0.316
MAR-TRE-04c86cea-72
0.316
MAR-TRE-4b834d9a-2
0.315
MAR-TRE-74c6519b-71
0.315
MAR-TRE-3e4e6814-19
0.313
MAR-TRE-04c86cea-63
0.312
MAR-TRE-4b834d9a-25
0.312
MAR-TRE-f6f5f473-45
0.310
MAR-TRE-7f7bb9f0-9
0.310
MAR-TRE-9c797165-36
0.310
MAR-TRE-b77b7921-93
0.309
MAR-TRE-f6f5f473-89
0.309
MAR-TRE-7f7bb9f0-5
0.308
MAR-TRE-04c86cea-9
0.308
MAR-TRE-4b834d9a-96
0.308
MAR-TRE-74c6519b-16
0.308
MAR-TRE-b77b7921-16
0.306
MAR-TRE-b77b7921-59
0.306
MAR-TRE-f6f5f473-66
0.306
MAR-TRE-d0525fbf-48
0.304
MAR-TRE-4b834d9a-21
0.304
MAR-TRE-67513f76-62
0.304
MAR-TRE-f6f5f473-43
0.304
MAR-TRE-4b834d9a-14
0.304
MAR-TRE-74c6519b-73
0.302
MAR-TRE-67513f76-2
0.302
MAR-TRE-7f7bb9f0-3
0.302
MAR-TRE-d0525fbf-11
0.299
MAR-TRE-d0525fbf-4
0.299
MAR-TRE-04c86cea-74
0.299
MAR-TRE-67513f76-27
0.299
MAR-TRE-04c86cea-77
0.298
MAR-TRE-f6f5f473-88
0.298
MAR-TRE-74c6519b-28
0.298
MAR-TRE-4b834d9a-3
0.297
MAR-TRE-d0525fbf-7
0.297
MAR-TRE-3e4e6814-4
0.297
MAR-TRE-4b834d9a-99
0.296
MAR-TRE-9c797165-89
0.296
MAR-TRE-b77b7921-22
0.296
MAR-TRE-9c797165-15
0.295
MAR-TRE-4b834d9a-20
0.294
MAR-TRE-b77b7921-11
0.294
MAR-TRE-4b834d9a-33
0.294
MAR-TRE-4b834d9a-11
0.293
MAR-TRE-3e4e6814-60
0.293
MAR-TRE-7f7bb9f0-78
0.292
MAR-TRE-7f7bb9f0-17
0.292
MAR-TRE-7f7bb9f0-85
0.292
MAR-TRE-67513f76-91
0.292
MAR-TRE-3e4e6814-33
0.292
MAR-TRE-74c6519b-25
0.291
MAR-TRE-f6f5f473-26
0.291
MAR-TRE-f6f5f473-22
0.291
MAR-TRE-9c797165-18
0.290
MAR-TRE-9c797165-45
0.290
MAR-TRE-4b834d9a-7
0.290
MAR-TRE-3e4e6814-66
0.290
MAR-TRE-7f7bb9f0-77
0.289