Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3C)c3cccnc32)cc1 |
MW: | 386.17 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8714369966 |
MolPort: | MolPort-028-858-950 |
MAR-TRE-74c6519b-86
0.825
MAR-TRE-f6f5f473-12
0.759
MAR-TRE-04c86cea-70
0.750
MAR-TRE-74c6519b-92
0.702
MAR-TRE-f6f5f473-55
0.699
MAR-TRE-3e4e6814-86
0.682
MAR-TRE-b77b7921-20
0.674
MAR-TRE-04c86cea-80
0.671
MAR-TRE-74c6519b-39
0.671
MAR-TRE-3e4e6814-4
0.667
MAR-TRE-f6f5f473-17
0.655
MAR-TRE-f6f5f473-22
0.626
MAR-TRE-f6f5f473-34
0.621
MAR-TRE-74c6519b-30
0.618
MAR-TRE-4b834d9a-54
0.618
MAR-TRE-b77b7921-48
0.613
MAR-TRE-4b834d9a-76
0.611
MAR-TRE-3e4e6814-21
0.611
MAR-TRE-d0525fbf-12
0.609
MAR-TRE-04c86cea-33
0.606
MAR-TRE-04c86cea-69
0.602
MAR-TRE-d0525fbf-3
0.602
MAR-TRE-3e4e6814-60
0.598
MAR-TRE-04c86cea-45
0.596
MAR-TRE-74c6519b-78
0.593
MAR-TRE-3e4e6814-25
0.581
MAR-TRE-9c797165-85
0.559
MAR-TRE-d0525fbf-21
0.559
MAR-TRE-9c797165-23
0.554
MAR-TRE-4b834d9a-23
0.554
MAR-TRE-7f7bb9f0-22
0.553
MAR-TRE-f6f5f473-94
0.552
MAR-TRE-3e4e6814-26
0.551
MAR-TRE-4b834d9a-60
0.551
MAR-TRE-3e4e6814-73
0.549
MAR-TRE-74c6519b-70
0.542
MAR-TRE-74c6519b-10
0.538
MAR-TRE-b77b7921-27
0.537
MAR-TRE-d0525fbf-2
0.535
MAR-TRE-04c86cea-57
0.531
MAR-TRE-4b834d9a-36
0.531
MAR-TRE-b77b7921-43
0.531
MAR-TRE-74c6519b-77
0.531
MAR-TRE-3e4e6814-2
0.531
MAR-TRE-7f7bb9f0-1
0.530
MAR-TRE-d0525fbf-44
0.530
MAR-TRE-d0525fbf-71
0.530
MAR-TRE-67513f76-11
0.527
MAR-TRE-7f7bb9f0-73
0.525
MAR-TRE-3e4e6814-10
0.522
MAR-TRE-d0525fbf-9
0.521
MAR-TRE-d0525fbf-37
0.521
MAR-TRE-b77b7921-29
0.521
MAR-TRE-04c86cea-21
0.516
MAR-TRE-04c86cea-52
0.516
MAR-TRE-f6f5f473-20
0.516
MAR-TRE-4b834d9a-35
0.516
MAR-TRE-74c6519b-9
0.515
MAR-TRE-9c797165-78
0.511
MAR-TRE-4b834d9a-69
0.510
MAR-TRE-d0525fbf-79
0.510
MAR-TRE-7f7bb9f0-70
0.510
MAR-TRE-7f7bb9f0-3
0.510
MAR-TRE-3e4e6814-18
0.505
MAR-TRE-d0525fbf-6
0.500
MAR-TRE-b77b7921-68
0.500
MAR-TRE-d0525fbf-8
0.495
MAR-TRE-d0525fbf-70
0.495
MAR-TRE-74c6519b-45
0.495
MAR-TRE-04c86cea-60
0.495
MAR-TRE-d0525fbf-68
0.490
MAR-TRE-04c86cea-58
0.490
MAR-TRE-7f7bb9f0-78
0.489
MAR-TRE-3e4e6814-69
0.489
MAR-TRE-b77b7921-59
0.479
MAR-TRE-f6f5f473-53
0.474
MAR-TRE-67513f76-62
0.470
MAR-TRE-67513f76-23
0.463
MAR-TRE-4b834d9a-30
0.461
MAR-TRE-3e4e6814-75
0.457
MAR-TRE-7f7bb9f0-71
0.455
MAR-TRE-4b834d9a-55
0.447
MAR-TRE-04c86cea-74
0.447
MAR-TRE-04c86cea-12
0.442
MAR-TRE-4b834d9a-99
0.442
MAR-TRE-b77b7921-100
0.439
MAR-TRE-67513f76-15
0.438
MAR-TRE-4b834d9a-8
0.438
MAR-TRE-f6f5f473-88
0.436
MAR-TRE-67513f76-72
0.434
MAR-TRE-4b834d9a-95
0.432
MAR-TRE-f6f5f473-43
0.430
MAR-TRE-04c86cea-25
0.429
MAR-TRE-f6f5f473-50
0.427
MAR-TRE-f6f5f473-26
0.423
MAR-TRE-4b834d9a-33
0.423
MAR-TRE-b77b7921-98
0.422
MAR-TRE-74c6519b-73
0.421
MAR-TRE-d0525fbf-89
0.419
MAR-TRE-d0525fbf-43
0.418