Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3)c3cccnc32)cc1 |
MW: | 388.15 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-858-991 |
MAR-TRE-3e4e6814-21
0.800
MAR-TRE-f6f5f473-55
0.795
MAR-TRE-d0525fbf-9
0.790
MAR-TRE-d0525fbf-37
0.790
MAR-TRE-f6f5f473-94
0.787
MAR-TRE-3e4e6814-73
0.772
MAR-TRE-3e4e6814-2
0.753
MAR-TRE-d0525fbf-6
0.753
MAR-TRE-7f7bb9f0-3
0.750
MAR-TRE-d0525fbf-8
0.744
MAR-TRE-d0525fbf-12
0.709
MAR-TRE-d0525fbf-3
0.701
MAR-TRE-d0525fbf-79
0.694
MAR-TRE-04c86cea-58
0.682
MAR-TRE-f6f5f473-34
0.667
MAR-TRE-d0525fbf-2
0.659
MAR-TRE-d0525fbf-44
0.652
MAR-TRE-7f7bb9f0-1
0.652
MAR-TRE-7f7bb9f0-70
0.652
MAR-TRE-4b834d9a-60
0.651
MAR-TRE-04c86cea-33
0.648
MAR-TRE-f6f5f473-20
0.647
MAR-TRE-04c86cea-21
0.647
MAR-TRE-04c86cea-52
0.647
MAR-TRE-d0525fbf-68
0.641
MAR-TRE-74c6519b-39
0.640
MAR-TRE-74c6519b-45
0.633
MAR-TRE-74c6519b-30
0.625
MAR-TRE-f6f5f473-17
0.625
MAR-TRE-67513f76-11
0.621
MAR-TRE-04c86cea-80
0.621
MAR-TRE-74c6519b-77
0.620
MAR-TRE-4b834d9a-35
0.607
MAR-TRE-b77b7921-48
0.602
MAR-TRE-04c86cea-60
0.600
MAR-TRE-d0525fbf-70
0.596
MAR-TRE-04c86cea-70
0.587
MAR-TRE-d0525fbf-71
0.583
MAR-TRE-4b834d9a-69
0.582
MAR-TRE-b77b7921-98
0.582
MAR-TRE-3e4e6814-18
0.581
MAR-TRE-f6f5f473-22
0.581
MAR-TRE-74c6519b-70
0.581
MAR-TRE-74c6519b-92
0.578
MAR-TRE-7f7bb9f0-73
0.577
MAR-TRE-9c797165-23
0.560
MAR-TRE-3e4e6814-86
0.560
MAR-TRE-04c86cea-69
0.556
MAR-TRE-f6f5f473-68
0.554
MAR-TRE-04c86cea-57
0.553
MAR-TRE-3e4e6814-5
0.553
MAR-TRE-9c797165-78
0.551
MAR-TRE-04c86cea-45
0.549
MAR-TRE-9c797165-85
0.548
MAR-TRE-f6f5f473-82
0.543
MAR-TRE-f6f5f473-12
0.543
MAR-TRE-74c6519b-86
0.543
MAR-TRE-d0525fbf-89
0.542
MAR-TRE-4b834d9a-54
0.538
MAR-TRE-4b834d9a-39
0.534
MAR-TRE-4b834d9a-76
0.532
MAR-TRE-3e4e6814-69
0.529
MAR-TRE-f6f5f473-53
0.527
MAR-TRE-b77b7921-27
0.526
MAR-TRE-04c86cea-56
0.526
MAR-TRE-b77b7921-43
0.521
MAR-TRE-4b834d9a-36
0.521
MAR-TRE-d0525fbf-21
0.516
MAR-TRE-7f7bb9f0-22
0.510
MAR-TRE-b77b7921-20
0.510
MAR-TRE-3e4e6814-25
0.505
MAR-TRE-3e4e6814-4
0.505
MAR-TRE-b77b7921-59
0.500
MAR-TRE-3e4e6814-12
0.495
MAR-TRE-7f7bb9f0-78
0.494
MAR-TRE-7f7bb9f0-71
0.490
MAR-TRE-3e4e6814-14
0.484
MAR-TRE-3e4e6814-60
0.475
MAR-TRE-3e4e6814-7
0.474
MAR-TRE-74c6519b-27
0.474
MAR-TRE-b77b7921-100
0.474
MAR-TRE-74c6519b-72
0.471
MAR-TRE-67513f76-23
0.468
MAR-TRE-3e4e6814-75
0.462
MAR-TRE-67513f76-62
0.460
MAR-TRE-4b834d9a-3
0.458
MAR-TRE-04c86cea-20
0.457
MAR-TRE-67513f76-15
0.456
MAR-TRE-b77b7921-46
0.455
MAR-TRE-3e4e6814-26
0.452
MAR-TRE-b77b7921-68
0.448
MAR-TRE-04c86cea-6
0.446
MAR-TRE-4b834d9a-32
0.441
MAR-TRE-f6f5f473-88
0.440
MAR-TRE-67513f76-72
0.438
MAR-TRE-f6f5f473-43
0.434
MAR-TRE-04c86cea-23
0.431
MAR-TRE-b77b7921-54
0.430
MAR-TRE-4b834d9a-52
0.430
MAR-TRE-b77b7921-1
0.430