Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)Nc1ccccc1F |
MW: | 377.13 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-d0525fbf-94
0.697
MAR-TRE-74c6519b-64
0.674
MAR-TRE-f6f5f473-59
0.645
MAR-TRE-f6f5f473-70
0.626
MAR-TRE-f6f5f473-44
0.625
MAR-TRE-04c86cea-6
0.624
MAR-TRE-b77b7921-7
0.621
MAR-TRE-74c6519b-88
0.619
MAR-TRE-b77b7921-5
0.604
MAR-TRE-b77b7921-26
0.604
MAR-TRE-04c86cea-27
0.604
MAR-TRE-b77b7921-8
0.598
MAR-TRE-b77b7921-19
0.580
MAR-TRE-b77b7921-10
0.569
MAR-TRE-04c86cea-16
0.545
MAR-TRE-67513f76-76
0.495
MAR-TRE-9c797165-92
0.490
MAR-TRE-7f7bb9f0-93
0.490
MAR-TRE-67513f76-52
0.485
MAR-TRE-74c6519b-3
0.469
MAR-TRE-4b834d9a-83
0.462
MAR-TRE-b77b7921-90
0.442
MAR-TRE-4b834d9a-18
0.433
MAR-TRE-3e4e6814-14
0.431
MAR-TRE-74c6519b-61
0.427
MAR-TRE-4b834d9a-22
0.425
MAR-TRE-4b834d9a-47
0.419
MAR-TRE-74c6519b-60
0.419
MAR-TRE-4b834d9a-5
0.419
MAR-TRE-d0525fbf-38
0.407
MAR-TRE-d0525fbf-47
0.406
MAR-TRE-d0525fbf-22
0.400
MAR-TRE-b77b7921-42
0.384
MAR-TRE-3e4e6814-37
0.382
MAR-TRE-4b834d9a-99
0.356
MAR-TRE-4b834d9a-33
0.352
MAR-TRE-f6f5f473-26
0.345
MAR-TRE-04c86cea-74
0.342
MAR-TRE-4b834d9a-15
0.339
MAR-TRE-4b834d9a-9
0.330
MAR-TRE-4b834d9a-84
0.330
MAR-TRE-f6f5f473-12
0.327
MAR-TRE-1c920f6f-74
0.327
MAR-TRE-04c86cea-72
0.325
MAR-TRE-74c6519b-75
0.324
MAR-TRE-3e4e6814-19
0.322
MAR-TRE-67513f76-94
0.321
MAR-TRE-74c6519b-21
0.316
MAR-TRE-04c86cea-9
0.316
MAR-TRE-3e4e6814-32
0.316
MAR-TRE-b77b7921-16
0.315
MAR-TRE-04c86cea-45
0.315
MAR-TRE-4b834d9a-41
0.313
MAR-TRE-f6f5f473-43
0.312
MAR-TRE-4b834d9a-2
0.312
MAR-TRE-74c6519b-71
0.312
MAR-TRE-4b834d9a-54
0.310
MAR-TRE-04c86cea-63
0.310
MAR-TRE-4b834d9a-25
0.309
MAR-TRE-7f7bb9f0-9
0.308
MAR-TRE-d0525fbf-4
0.308
MAR-TRE-f6f5f473-5
0.308
MAR-TRE-f6f5f473-45
0.308
MAR-TRE-04c86cea-77
0.307
MAR-TRE-f6f5f473-54
0.307
MAR-TRE-9c797165-36
0.307
MAR-TRE-b77b7921-93
0.306
MAR-TRE-f6f5f473-89
0.306
MAR-TRE-3e4e6814-75
0.306
MAR-TRE-74c6519b-16
0.305
MAR-TRE-7f7bb9f0-5
0.305
MAR-TRE-b77b7921-22
0.304
MAR-TRE-d0525fbf-17
0.304
MAR-TRE-b77b7921-59
0.304
MAR-TRE-b77b7921-11
0.303
MAR-TRE-d0525fbf-5
0.303
MAR-TRE-7f7bb9f0-24
0.302
MAR-TRE-67513f76-62
0.302
MAR-TRE-4b834d9a-21
0.302
MAR-TRE-3e4e6814-60
0.302
MAR-TRE-67513f76-91
0.301
MAR-TRE-3e4e6814-33
0.301
MAR-TRE-74c6519b-25
0.300
MAR-TRE-74c6519b-73
0.299
MAR-TRE-b77b7921-44
0.298
MAR-TRE-04c86cea-36
0.298
MAR-TRE-3e4e6814-69
0.298
MAR-TRE-f6f5f473-53
0.297
MAR-TRE-f6f5f473-96
0.297
MAR-TRE-7f7bb9f0-34
0.297
MAR-TRE-d0525fbf-3
0.297
MAR-TRE-b77b7921-20
0.297
MAR-TRE-f6f5f473-72
0.297
MAR-TRE-7f7bb9f0-7
0.296
MAR-TRE-b77b7921-2
0.296
MAR-TRE-04c86cea-73
0.296
MAR-TRE-f6f5f473-88
0.296
MAR-TRE-4b834d9a-3
0.295
MAR-TRE-3e4e6814-4
0.294
MAR-TRE-9c797165-89
0.294