Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccn1 |
MW: | 378.09 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4233218994 |
MolPort: | MolPort-003-122-194 |
Filter82_pyridinium
MAR-TRE-f6f5f473-49
0.750
MAR-TRE-b77b7921-51
0.740
MAR-TRE-74c6519b-83
0.727
MAR-TRE-4b834d9a-80
0.724
MAR-TRE-b77b7921-33
0.684
MAR-TRE-b77b7921-76
0.675
MAR-TRE-f6f5f473-86
0.675
MAR-TRE-3e4e6814-77
0.646
MAR-TRE-d0525fbf-18
0.642
MAR-TRE-b77b7921-79
0.607
MAR-TRE-74c6519b-38
0.600
MAR-TRE-3e4e6814-40
0.582
MAR-TRE-b77b7921-86
0.578
MAR-TRE-d0525fbf-34
0.562
MAR-TRE-b77b7921-24
0.559
MAR-TRE-f6f5f473-10
0.557
MAR-TRE-74c6519b-34
0.526
MAR-TRE-d0525fbf-62
0.522
MAR-TRE-3e4e6814-99
0.519
MAR-TRE-d0525fbf-86
0.512
MAR-TRE-b77b7921-1
0.511
MAR-TRE-f6f5f473-19
0.505
MAR-TRE-04c86cea-42
0.505
MAR-TRE-d0525fbf-49
0.500
MAR-TRE-74c6519b-43
0.500
MAR-TRE-b77b7921-58
0.495
MAR-TRE-3e4e6814-46
0.490
MAR-TRE-04c86cea-24
0.490
MAR-TRE-74c6519b-4
0.490
MAR-TRE-04c86cea-10
0.489
MAR-TRE-f6f5f473-38
0.489
MAR-TRE-04c86cea-50
0.488
MAR-TRE-04c86cea-43
0.485
MAR-TRE-3e4e6814-15
0.485
MAR-TRE-4b834d9a-34
0.477
MAR-TRE-74c6519b-1
0.474
MAR-TRE-04c86cea-3
0.474
MAR-TRE-d0525fbf-76
0.474
MAR-TRE-d0525fbf-46
0.467
MAR-TRE-04c86cea-99
0.465
MAR-TRE-04c86cea-22
0.464
MAR-TRE-04c86cea-37
0.459
MAR-TRE-04c86cea-61
0.457
MAR-TRE-7f7bb9f0-10
0.456
MAR-TRE-74c6519b-94
0.456
MAR-TRE-b77b7921-49
0.449
MAR-TRE-b77b7921-12
0.444
MAR-TRE-d0525fbf-59
0.444
MAR-TRE-b77b7921-32
0.441
MAR-TRE-d0525fbf-58
0.439
MAR-TRE-3e4e6814-42
0.435
MAR-TRE-d0525fbf-16
0.430
MAR-TRE-d0525fbf-67
0.430
MAR-TRE-04c86cea-26
0.430
MAR-TRE-04c86cea-15
0.426
MAR-TRE-b77b7921-50
0.423
MAR-TRE-b77b7921-14
0.418
MAR-TRE-3e4e6814-83
0.417
MAR-TRE-b77b7921-64
0.416
MAR-TRE-f6f5f473-11
0.412
MAR-TRE-b77b7921-41
0.411
MAR-TRE-b77b7921-21
0.408
MAR-TRE-4b834d9a-44
0.405
MAR-TRE-9c797165-19
0.404
MAR-TRE-3e4e6814-30
0.404
MAR-TRE-f6f5f473-7
0.402
MAR-TRE-04c86cea-98
0.402
MAR-TRE-4b834d9a-19
0.398
MAR-TRE-74c6519b-62
0.396
MAR-TRE-3e4e6814-44
0.396
MAR-TRE-d0525fbf-42
0.394
MAR-TRE-74c6519b-22
0.393
MAR-TRE-b77b7921-37
0.385
MAR-TRE-d0525fbf-73
0.380
MAR-TRE-7f7bb9f0-52
0.380
MAR-TRE-74c6519b-31
0.379
MAR-TRE-f6f5f473-13
0.377
MAR-TRE-4b834d9a-50
0.376
MAR-TRE-4b834d9a-52
0.376
MAR-TRE-74c6519b-80
0.376
MAR-TRE-f6f5f473-32
0.376
MAR-TRE-74c6519b-33
0.375
MAR-TRE-4b834d9a-81
0.374
MAR-TRE-7f7bb9f0-40
0.371
MAR-TRE-d0525fbf-56
0.371
MAR-TRE-04c86cea-92
0.369
MAR-TRE-3e4e6814-32
0.369
MAR-TRE-d0525fbf-48
0.365
MAR-TRE-4b834d9a-41
0.365
MAR-TRE-74c6519b-32
0.365
MAR-TRE-3e4e6814-29
0.365
MAR-TRE-b77b7921-36
0.364
MAR-TRE-4b834d9a-72
0.363
MAR-TRE-3e4e6814-48
0.363
MAR-TRE-74c6519b-15
0.362
MAR-TRE-b77b7921-25
0.362
MAR-TRE-d0525fbf-29
0.362
MAR-TRE-d0525fbf-27
0.362
MAR-TRE-b77b7921-60
0.361
MAR-TRE-74c6519b-28
0.359