Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1Cl |
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-8367722263 |
MolPort: | MolPort-003-122-338 |
Filter82_pyridinium
MAR-TRE-74c6519b-99
0.807
MAR-TRE-7f7bb9f0-40
0.770
MAR-TRE-74c6519b-43
0.764
MAR-TRE-3e4e6814-48
0.733
MAR-TRE-3e4e6814-29
0.727
MAR-TRE-74c6519b-28
0.724
MAR-TRE-7f7bb9f0-52
0.721
MAR-TRE-d0525fbf-58
0.716
MAR-TRE-74c6519b-74
0.713
MAR-TRE-74c6519b-31
0.708
MAR-TRE-4b834d9a-81
0.698
MAR-TRE-7f7bb9f0-77
0.693
MAR-TRE-d0525fbf-48
0.689
MAR-TRE-d0525fbf-42
0.685
MAR-TRE-74c6519b-33
0.681
MAR-TRE-3e4e6814-32
0.678
MAR-TRE-d0525fbf-27
0.663
MAR-TRE-74c6519b-37
0.656
MAR-TRE-d0525fbf-20
0.653
MAR-TRE-74c6519b-15
0.645
MAR-TRE-7f7bb9f0-24
0.617
MAR-TRE-74c6519b-32
0.617
MAR-TRE-d0525fbf-47
0.613
MAR-TRE-9c797165-19
0.607
MAR-TRE-3e4e6814-11
0.600
MAR-TRE-d0525fbf-29
0.594
MAR-TRE-d0525fbf-49
0.586
MAR-TRE-4b834d9a-52
0.585
MAR-TRE-74c6519b-62
0.580
MAR-TRE-3e4e6814-83
0.576
MAR-TRE-04c86cea-30
0.573
MAR-TRE-d0525fbf-25
0.571
MAR-TRE-04c86cea-67
0.571
MAR-TRE-b77b7921-60
0.570
MAR-TRE-4b834d9a-72
0.568
MAR-TRE-d0525fbf-1
0.567
MAR-TRE-b77b7921-36
0.559
MAR-TRE-74c6519b-87
0.559
MAR-TRE-4b834d9a-19
0.556
MAR-TRE-b77b7921-57
0.556
MAR-TRE-74c6519b-80
0.553
MAR-TRE-b77b7921-82
0.551
MAR-TRE-d0525fbf-31
0.550
MAR-TRE-3e4e6814-91
0.545
MAR-TRE-04c86cea-42
0.545
MAR-TRE-04c86cea-43
0.540
MAR-TRE-3e4e6814-40
0.540
MAR-TRE-f6f5f473-3
0.535
MAR-TRE-d0525fbf-62
0.531
MAR-TRE-d0525fbf-86
0.522
MAR-TRE-f6f5f473-64
0.520
MAR-TRE-74c6519b-21
0.520
MAR-TRE-74c6519b-34
0.519
MAR-TRE-f6f5f473-57
0.519
MAR-TRE-4b834d9a-80
0.516
MAR-TRE-74c6519b-94
0.516
MAR-TRE-04c86cea-24
0.515
MAR-TRE-3e4e6814-99
0.511
MAR-TRE-d0525fbf-17
0.510
MAR-TRE-3e4e6814-15
0.510
MAR-TRE-b77b7921-58
0.505
MAR-TRE-4b834d9a-41
0.505
MAR-TRE-74c6519b-84
0.505
MAR-TRE-7f7bb9f0-10
0.500
MAR-TRE-d0525fbf-76
0.500
MAR-TRE-3e4e6814-46
0.500
MAR-TRE-f6f5f473-5
0.495
MAR-TRE-d0525fbf-15
0.491
MAR-TRE-f6f5f473-7
0.490
MAR-TRE-b77b7921-42
0.486
MAR-TRE-04c86cea-92
0.480
MAR-TRE-f6f5f473-21
0.480
MAR-TRE-04c86cea-99
0.476
MAR-TRE-f6f5f473-18
0.472
MAR-TRE-74c6519b-40
0.471
MAR-TRE-04c86cea-22
0.462
MAR-TRE-4b834d9a-50
0.461
MAR-TRE-f6f5f473-60
0.458
MAR-TRE-74c6519b-20
0.458
MAR-TRE-d0525fbf-57
0.454
MAR-TRE-b77b7921-45
0.453
MAR-TRE-04c86cea-2
0.452
MAR-TRE-4b834d9a-28
0.449
MAR-TRE-04c86cea-59
0.448
MAR-TRE-b77b7921-13
0.447
MAR-TRE-b77b7921-65
0.445
MAR-TRE-d0525fbf-60
0.443
MAR-TRE-3e4e6814-98
0.443
MAR-TRE-b77b7921-25
0.443
MAR-TRE-b77b7921-46
0.442
MAR-TRE-d0525fbf-73
0.442
MAR-TRE-04c86cea-8
0.438
MAR-TRE-b77b7921-50
0.437
MAR-TRE-d0525fbf-32
0.436
MAR-TRE-d0525fbf-40
0.435
MAR-TRE-04c86cea-66
0.435
MAR-TRE-d0525fbf-13
0.431
MAR-TRE-b77b7921-28
0.431
MAR-TRE-04c86cea-3
0.430
MAR-TRE-74c6519b-4
0.430