Molecular Properties | |
SMILES: | CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 |
MW: | 415.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.88 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6085583648 |
MolPort: | MolPort-003-122-331 |
Filter82_pyridinium
MAR-TRE-7f7bb9f0-52
0.833
MAR-TRE-3e4e6814-48
0.823
MAR-TRE-7f7bb9f0-77
0.800
MAR-TRE-4b834d9a-81
0.785
MAR-TRE-74c6519b-31
0.750
MAR-TRE-74c6519b-28
0.726
MAR-TRE-d0525fbf-56
0.713
MAR-TRE-3e4e6814-29
0.709
MAR-TRE-d0525fbf-48
0.709
MAR-TRE-d0525fbf-58
0.698
MAR-TRE-7f7bb9f0-40
0.693
MAR-TRE-b77b7921-36
0.687
MAR-TRE-d0525fbf-25
0.674
MAR-TRE-74c6519b-32
0.670
MAR-TRE-3e4e6814-32
0.659
MAR-TRE-04c86cea-30
0.659
MAR-TRE-74c6519b-37
0.656
MAR-TRE-b77b7921-57
0.656
MAR-TRE-04c86cea-67
0.656
MAR-TRE-4b834d9a-72
0.655
MAR-TRE-7f7bb9f0-24
0.652
MAR-TRE-d0525fbf-31
0.648
MAR-TRE-d0525fbf-47
0.648
MAR-TRE-9c797165-19
0.646
MAR-TRE-d0525fbf-27
0.644
MAR-TRE-74c6519b-15
0.644
MAR-TRE-74c6519b-33
0.644
MAR-TRE-3e4e6814-11
0.633
MAR-TRE-b77b7921-82
0.633
MAR-TRE-d0525fbf-42
0.630
MAR-TRE-4b834d9a-52
0.618
MAR-TRE-d0525fbf-1
0.615
MAR-TRE-d0525fbf-62
0.611
MAR-TRE-d0525fbf-20
0.600
MAR-TRE-d0525fbf-29
0.591
MAR-TRE-4b834d9a-19
0.588
MAR-TRE-74c6519b-62
0.577
MAR-TRE-d0525fbf-76
0.576
MAR-TRE-04c86cea-42
0.573
MAR-TRE-74c6519b-87
0.571
MAR-TRE-74c6519b-99
0.571
MAR-TRE-b77b7921-60
0.567
MAR-TRE-b77b7921-58
0.567
MAR-TRE-3e4e6814-91
0.557
MAR-TRE-3e4e6814-83
0.557
MAR-TRE-d0525fbf-17
0.553
MAR-TRE-74c6519b-21
0.546
MAR-TRE-3e4e6814-99
0.542
MAR-TRE-74c6519b-43
0.535
MAR-TRE-4b834d9a-41
0.531
MAR-TRE-d0525fbf-15
0.530
MAR-TRE-b77b7921-42
0.525
MAR-TRE-3e4e6814-40
0.520
MAR-TRE-3e4e6814-15
0.520
MAR-TRE-04c86cea-43
0.520
MAR-TRE-d0525fbf-49
0.520
MAR-TRE-d0525fbf-86
0.517
MAR-TRE-f6f5f473-7
0.516
MAR-TRE-f6f5f473-64
0.515
MAR-TRE-f6f5f473-3
0.515
MAR-TRE-74c6519b-84
0.515
MAR-TRE-7f7bb9f0-10
0.511
MAR-TRE-74c6519b-94
0.511
MAR-TRE-3e4e6814-98
0.510
MAR-TRE-f6f5f473-21
0.505
MAR-TRE-74c6519b-80
0.505
MAR-TRE-04c86cea-22
0.500
MAR-TRE-f6f5f473-60
0.495
MAR-TRE-f6f5f473-18
0.495
MAR-TRE-74c6519b-40
0.495
MAR-TRE-f6f5f473-19
0.495
MAR-TRE-4b834d9a-80
0.495
MAR-TRE-04c86cea-2
0.490
MAR-TRE-f6f5f473-57
0.485
MAR-TRE-4b834d9a-50
0.485
MAR-TRE-3e4e6814-46
0.480
MAR-TRE-04c86cea-24
0.480
MAR-TRE-d0525fbf-60
0.480
MAR-TRE-f6f5f473-5
0.475
MAR-TRE-b77b7921-45
0.475
MAR-TRE-04c86cea-92
0.475
MAR-TRE-74c6519b-34
0.471
MAR-TRE-04c86cea-99
0.471
MAR-TRE-b77b7921-13
0.469
MAR-TRE-d0525fbf-73
0.467
MAR-TRE-b77b7921-25
0.465
MAR-TRE-b77b7921-46
0.465
MAR-TRE-74c6519b-2
0.461
MAR-TRE-04c86cea-8
0.460
MAR-TRE-b77b7921-50
0.459
MAR-TRE-d0525fbf-32
0.457
MAR-TRE-04c86cea-66
0.456
MAR-TRE-d0525fbf-40
0.456
MAR-TRE-4b834d9a-28
0.456
MAR-TRE-b77b7921-65
0.453
MAR-TRE-d0525fbf-13
0.452
MAR-TRE-74c6519b-20
0.452
MAR-TRE-04c86cea-3
0.451
MAR-TRE-d0525fbf-57
0.448
MAR-TRE-b77b7921-6
0.442