Molecular Properties | |
SMILES: | Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 |
MW: | 435.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1553832073 |
MolPort: | MolPort-003-122-313 |
Filter82_pyridinium
MAR-TRE-74c6519b-80
0.809
MAR-TRE-74c6519b-33
0.791
MAR-TRE-74c6519b-34
0.767
MAR-TRE-3e4e6814-32
0.747
MAR-TRE-74c6519b-37
0.703
MAR-TRE-74c6519b-15
0.692
MAR-TRE-d0525fbf-27
0.692
MAR-TRE-d0525fbf-56
0.685
MAR-TRE-7f7bb9f0-24
0.681
MAR-TRE-d0525fbf-47
0.678
MAR-TRE-7f7bb9f0-52
0.674
MAR-TRE-d0525fbf-58
0.670
MAR-TRE-74c6519b-32
0.663
MAR-TRE-74c6519b-28
0.659
MAR-TRE-7f7bb9f0-40
0.649
MAR-TRE-3e4e6814-48
0.648
MAR-TRE-3e4e6814-29
0.645
MAR-TRE-4b834d9a-81
0.633
MAR-TRE-74c6519b-74
0.630
MAR-TRE-74c6519b-31
0.628
MAR-TRE-7f7bb9f0-77
0.613
MAR-TRE-d0525fbf-48
0.611
MAR-TRE-04c86cea-24
0.602
MAR-TRE-9c797165-19
0.600
MAR-TRE-4b834d9a-52
0.596
MAR-TRE-3e4e6814-11
0.594
MAR-TRE-f6f5f473-57
0.590
MAR-TRE-4b834d9a-19
0.584
MAR-TRE-d0525fbf-17
0.583
MAR-TRE-4b834d9a-41
0.577
MAR-TRE-74c6519b-21
0.576
MAR-TRE-d0525fbf-29
0.571
MAR-TRE-d0525fbf-1
0.561
MAR-TRE-74c6519b-99
0.553
MAR-TRE-b77b7921-36
0.553
MAR-TRE-d0525fbf-15
0.544
MAR-TRE-74c6519b-62
0.544
MAR-TRE-4b834d9a-80
0.543
MAR-TRE-3e4e6814-83
0.539
MAR-TRE-b77b7921-42
0.539
MAR-TRE-f6f5f473-5
0.535
MAR-TRE-d0525fbf-25
0.535
MAR-TRE-f6f5f473-18
0.524
MAR-TRE-3e4e6814-46
0.524
MAR-TRE-3e4e6814-99
0.523
MAR-TRE-04c86cea-30
0.520
MAR-TRE-74c6519b-43
0.519
MAR-TRE-b77b7921-60
0.519
MAR-TRE-d0525fbf-20
0.519
MAR-TRE-4b834d9a-72
0.515
MAR-TRE-04c86cea-99
0.515
MAR-TRE-74c6519b-94
0.511
MAR-TRE-74c6519b-87
0.509
MAR-TRE-3e4e6814-40
0.505
MAR-TRE-04c86cea-67
0.505
MAR-TRE-b77b7921-82
0.500
MAR-TRE-04c86cea-22
0.500
MAR-TRE-d0525fbf-86
0.500
MAR-TRE-f6f5f473-7
0.500
MAR-TRE-d0525fbf-62
0.495
MAR-TRE-7f7bb9f0-10
0.495
MAR-TRE-d0525fbf-49
0.491
MAR-TRE-b77b7921-57
0.490
MAR-TRE-f6f5f473-21
0.490
MAR-TRE-d0525fbf-31
0.486
MAR-TRE-f6f5f473-60
0.481
MAR-TRE-04c86cea-42
0.481
MAR-TRE-3e4e6814-91
0.481
MAR-TRE-04c86cea-43
0.476
MAR-TRE-04c86cea-92
0.476
MAR-TRE-f6f5f473-3
0.472
MAR-TRE-f6f5f473-64
0.471
MAR-TRE-4b834d9a-50
0.471
MAR-TRE-74c6519b-40
0.467
MAR-TRE-04c86cea-2
0.462
MAR-TRE-4b834d9a-28
0.458
MAR-TRE-b77b7921-58
0.455
MAR-TRE-d0525fbf-60
0.453
MAR-TRE-b77b7921-25
0.453
MAR-TRE-b77b7921-46
0.452
MAR-TRE-d0525fbf-57
0.450
MAR-TRE-3e4e6814-15
0.449
MAR-TRE-b77b7921-45
0.449
MAR-TRE-d0525fbf-32
0.445
MAR-TRE-74c6519b-84
0.444
MAR-TRE-04c86cea-59
0.443
MAR-TRE-b77b7921-13
0.442
MAR-TRE-74c6519b-20
0.440
MAR-TRE-d0525fbf-13
0.440
MAR-TRE-d0525fbf-76
0.438
MAR-TRE-d0525fbf-73
0.438
MAR-TRE-04c86cea-8
0.434
MAR-TRE-b77b7921-50
0.433
MAR-TRE-d0525fbf-40
0.431
MAR-TRE-b77b7921-1
0.429
MAR-TRE-04c86cea-3
0.426
MAR-TRE-74c6519b-2
0.422
MAR-TRE-04c86cea-66
0.418
MAR-TRE-04c86cea-23
0.417
MAR-TRE-b77b7921-65
0.416