Molecular Properties | |
SMILES: | Cc1c(Cl)cccc1NC(=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-6366564295 |
MolPort: | MolPort-003-122-310 |
Filter82_pyridinium
MAR-TRE-74c6519b-15
0.788
MAR-TRE-3e4e6814-46
0.761
MAR-TRE-3e4e6814-32
0.724
MAR-TRE-74c6519b-32
0.697
MAR-TRE-d0525fbf-47
0.693
MAR-TRE-d0525fbf-42
0.692
MAR-TRE-74c6519b-33
0.689
MAR-TRE-74c6519b-37
0.681
MAR-TRE-d0525fbf-56
0.663
MAR-TRE-3e4e6814-48
0.663
MAR-TRE-7f7bb9f0-24
0.659
MAR-TRE-3e4e6814-29
0.659
MAR-TRE-74c6519b-28
0.656
MAR-TRE-7f7bb9f0-52
0.652
MAR-TRE-d0525fbf-58
0.648
MAR-TRE-4b834d9a-81
0.648
MAR-TRE-74c6519b-74
0.644
MAR-TRE-74c6519b-31
0.641
MAR-TRE-7f7bb9f0-40
0.628
MAR-TRE-7f7bb9f0-77
0.626
MAR-TRE-d0525fbf-48
0.624
MAR-TRE-d0525fbf-29
0.617
MAR-TRE-9c797165-19
0.614
MAR-TRE-3e4e6814-11
0.606
MAR-TRE-4b834d9a-52
0.591
MAR-TRE-b77b7921-36
0.582
MAR-TRE-d0525fbf-1
0.573
MAR-TRE-4b834d9a-19
0.562
MAR-TRE-74c6519b-80
0.559
MAR-TRE-74c6519b-21
0.556
MAR-TRE-f6f5f473-18
0.550
MAR-TRE-b77b7921-42
0.550
MAR-TRE-d0525fbf-17
0.546
MAR-TRE-4b834d9a-41
0.541
MAR-TRE-74c6519b-99
0.534
MAR-TRE-d0525fbf-20
0.529
MAR-TRE-04c86cea-22
0.525
MAR-TRE-74c6519b-34
0.524
MAR-TRE-74c6519b-62
0.524
MAR-TRE-d0525fbf-15
0.524
MAR-TRE-04c86cea-24
0.520
MAR-TRE-3e4e6814-83
0.520
MAR-TRE-3e4e6814-99
0.517
MAR-TRE-04c86cea-30
0.515
MAR-TRE-04c86cea-67
0.515
MAR-TRE-d0525fbf-25
0.515
MAR-TRE-f6f5f473-5
0.515
MAR-TRE-b77b7921-60
0.515
MAR-TRE-d0525fbf-86
0.511
MAR-TRE-4b834d9a-72
0.510
MAR-TRE-b77b7921-82
0.510
MAR-TRE-f6f5f473-57
0.510
MAR-TRE-4b834d9a-80
0.505
MAR-TRE-74c6519b-94
0.505
MAR-TRE-f6f5f473-60
0.505
MAR-TRE-74c6519b-87
0.505
MAR-TRE-b77b7921-57
0.500
MAR-TRE-04c86cea-92
0.500
MAR-TRE-74c6519b-43
0.500
MAR-TRE-04c86cea-99
0.495
MAR-TRE-d0525fbf-31
0.495
MAR-TRE-04c86cea-42
0.490
MAR-TRE-3e4e6814-91
0.490
MAR-TRE-7f7bb9f0-10
0.489
MAR-TRE-04c86cea-43
0.485
MAR-TRE-3e4e6814-40
0.485
MAR-TRE-f6f5f473-21
0.485
MAR-TRE-f6f5f473-3
0.481
MAR-TRE-f6f5f473-7
0.480
MAR-TRE-74c6519b-20
0.476
MAR-TRE-74c6519b-40
0.476
MAR-TRE-d0525fbf-62
0.475
MAR-TRE-d0525fbf-49
0.472
MAR-TRE-b77b7921-50
0.470
MAR-TRE-f6f5f473-64
0.466
MAR-TRE-4b834d9a-50
0.465
MAR-TRE-b77b7921-58
0.465
MAR-TRE-3e4e6814-15
0.457
MAR-TRE-b77b7921-45
0.457
MAR-TRE-04c86cea-2
0.456
MAR-TRE-74c6519b-84
0.453
MAR-TRE-b77b7921-13
0.451
MAR-TRE-d0525fbf-60
0.448
MAR-TRE-74c6519b-4
0.448
MAR-TRE-d0525fbf-73
0.447
MAR-TRE-b77b7921-46
0.447
MAR-TRE-d0525fbf-76
0.447
MAR-TRE-04c86cea-8
0.442
MAR-TRE-d0525fbf-40
0.439
MAR-TRE-4b834d9a-28
0.439
MAR-TRE-b77b7921-28
0.435
MAR-TRE-04c86cea-3
0.434
MAR-TRE-b77b7921-25
0.434
MAR-TRE-74c6519b-2
0.430
MAR-TRE-d0525fbf-32
0.427
MAR-TRE-04c86cea-66
0.426
MAR-TRE-04c86cea-59
0.425
MAR-TRE-b77b7921-1
0.423
MAR-TRE-d0525fbf-13
0.422
MAR-TRE-3e4e6814-98
0.421