Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2 |
MW: | 421.08 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 3.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8282877182 |
MolPort: | MolPort-003-108-098 |
Filter82_pyridinium
MAR-TRE-04c86cea-61
0.780
MAR-TRE-b77b7921-12
0.767
MAR-TRE-04c86cea-37
0.767
MAR-TRE-b77b7921-14
0.741
MAR-TRE-b77b7921-64
0.708
MAR-TRE-74c6519b-22
0.681
MAR-TRE-04c86cea-98
0.670
MAR-TRE-f6f5f473-13
0.667
MAR-TRE-b77b7921-37
0.663
MAR-TRE-d0525fbf-19
0.652
MAR-TRE-4b834d9a-80
0.647
MAR-TRE-f6f5f473-32
0.639
MAR-TRE-b77b7921-33
0.632
MAR-TRE-d0525fbf-40
0.621
MAR-TRE-d0525fbf-57
0.608
MAR-TRE-b77b7921-62
0.607
MAR-TRE-b77b7921-56
0.604
MAR-TRE-d0525fbf-13
0.598
MAR-TRE-3e4e6814-38
0.537
MAR-TRE-b77b7921-38
0.537
MAR-TRE-b77b7921-94
0.535
MAR-TRE-04c86cea-28
0.518
MAR-TRE-b77b7921-24
0.510
MAR-TRE-d0525fbf-86
0.495
MAR-TRE-74c6519b-83
0.464
MAR-TRE-d0525fbf-46
0.454
MAR-TRE-3e4e6814-99
0.451
MAR-TRE-f6f5f473-49
0.449
MAR-TRE-b77b7921-51
0.444
MAR-TRE-04c86cea-50
0.441
MAR-TRE-b77b7921-49
0.438
MAR-TRE-d0525fbf-59
0.433
MAR-TRE-4b834d9a-34
0.433
MAR-TRE-b77b7921-32
0.430
MAR-TRE-3e4e6814-42
0.424
MAR-TRE-d0525fbf-67
0.420
MAR-TRE-7f7bb9f0-10
0.414
MAR-TRE-3e4e6814-77
0.412
MAR-TRE-b77b7921-76
0.408
MAR-TRE-f6f5f473-86
0.408
MAR-TRE-d0525fbf-16
0.406
MAR-TRE-f6f5f473-11
0.404
MAR-TRE-d0525fbf-58
0.402
MAR-TRE-74c6519b-94
0.400
MAR-TRE-3e4e6814-83
0.396
MAR-TRE-3e4e6814-30
0.396
MAR-TRE-04c86cea-26
0.392
MAR-TRE-4b834d9a-19
0.390
MAR-TRE-74c6519b-62
0.389
MAR-TRE-b77b7921-41
0.388
MAR-TRE-b77b7921-50
0.387
MAR-TRE-d0525fbf-18
0.379
MAR-TRE-04c86cea-15
0.378
MAR-TRE-b77b7921-21
0.375
MAR-TRE-f6f5f473-7
0.368
MAR-TRE-9c797165-19
0.367
MAR-TRE-04c86cea-92
0.364
MAR-TRE-d0525fbf-42
0.363
MAR-TRE-d0525fbf-39
0.360
MAR-TRE-74c6519b-31
0.360
MAR-TRE-d0525fbf-73
0.360
MAR-TRE-74c6519b-80
0.359
MAR-TRE-b77b7921-36
0.358
MAR-TRE-4b834d9a-50
0.358
MAR-TRE-74c6519b-38
0.355
MAR-TRE-3e4e6814-40
0.354
MAR-TRE-3e4e6814-44
0.349
MAR-TRE-7f7bb9f0-52
0.349
MAR-TRE-74c6519b-20
0.348
MAR-TRE-b77b7921-86
0.346
MAR-TRE-b77b7921-13
0.345
MAR-TRE-74c6519b-33
0.345
MAR-TRE-f6f5f473-93
0.345
MAR-TRE-d0525fbf-29
0.345
MAR-TRE-74c6519b-40
0.345
MAR-TRE-d0525fbf-60
0.345
MAR-TRE-d0525fbf-20
0.345
MAR-TRE-4b834d9a-81
0.343
MAR-TRE-7f7bb9f0-40
0.342
MAR-TRE-d0525fbf-25
0.342
MAR-TRE-d0525fbf-56
0.342
MAR-TRE-b77b7921-31
0.342
JOH-UNI-e19b918c-9
0.341
MAK-UNK-7c9d1431-14
0.340
MAR-TRE-f6f5f473-10
0.339
MAR-TRE-04c86cea-2
0.339
MAR-TRE-04c86cea-8
0.339
MAR-TRE-f6f5f473-21
0.339
MAR-TRE-d0525fbf-17
0.339
MAR-TRE-04c86cea-30
0.339
MAR-TRE-4b834d9a-28
0.339
MAR-TRE-74c6519b-99
0.339
MAR-TRE-b77b7921-82
0.336
MAR-TRE-d0525fbf-48
0.336
MAR-TRE-4b834d9a-41
0.336
MAR-TRE-3e4e6814-29
0.336
MAR-TRE-b77b7921-25
0.333
MAR-TRE-b77b7921-60
0.333
MAR-TRE-d0525fbf-27
0.333
MAR-TRE-4b834d9a-52
0.333