Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(C)cc3)c3cccnc32)cc1 |
MW: | 402.17 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9351481459 |
MolPort: | MolPort-028-859-001 |
MAR-TRE-d0525fbf-9
0.815
MAR-TRE-d0525fbf-37
0.815
MAR-TRE-4b834d9a-23
0.800
MAR-TRE-74c6519b-30
0.790
MAR-TRE-f6f5f473-34
0.775
MAR-TRE-3e4e6814-2
0.756
MAR-TRE-f6f5f473-17
0.747
MAR-TRE-7f7bb9f0-3
0.733
MAR-TRE-f6f5f473-55
0.732
MAR-TRE-74c6519b-39
0.723
MAR-TRE-d0525fbf-6
0.716
MAR-TRE-d0525fbf-8
0.708
MAR-TRE-04c86cea-33
0.708
MAR-TRE-b77b7921-48
0.697
MAR-TRE-04c86cea-80
0.682
MAR-TRE-4b834d9a-60
0.675
MAR-TRE-d0525fbf-12
0.674
MAR-TRE-d0525fbf-3
0.667
MAR-TRE-d0525fbf-2
0.645
MAR-TRE-04c86cea-70
0.644
MAR-TRE-7f7bb9f0-1
0.638
MAR-TRE-d0525fbf-44
0.638
MAR-TRE-7f7bb9f0-70
0.637
MAR-TRE-f6f5f473-22
0.637
MAR-TRE-3e4e6814-86
0.636
MAR-TRE-4b834d9a-35
0.629
MAR-TRE-04c86cea-57
0.626
MAR-TRE-d0525fbf-79
0.622
MAR-TRE-f6f5f473-94
0.619
MAR-TRE-74c6519b-92
0.618
MAR-TRE-04c86cea-21
0.614
MAR-TRE-f6f5f473-20
0.614
MAR-TRE-3e4e6814-73
0.614
MAR-TRE-04c86cea-52
0.614
MAR-TRE-f6f5f473-68
0.611
MAR-TRE-d0525fbf-68
0.611
MAR-TRE-67513f76-11
0.607
MAR-TRE-d0525fbf-70
0.600
MAR-TRE-f6f5f473-12
0.598
MAR-TRE-04c86cea-58
0.596
MAR-TRE-74c6519b-45
0.585
MAR-TRE-74c6519b-70
0.585
MAR-TRE-b77b7921-20
0.579
MAR-TRE-3e4e6814-25
0.574
MAR-TRE-3e4e6814-4
0.573
MAR-TRE-d0525fbf-71
0.571
MAR-TRE-f6f5f473-88
0.570
MAR-TRE-7f7bb9f0-73
0.566
MAR-TRE-f6f5f473-43
0.565
MAR-TRE-04c86cea-56
0.564
MAR-TRE-74c6519b-73
0.563
MAR-TRE-4b834d9a-39
0.557
MAR-TRE-74c6519b-77
0.557
MAR-TRE-9c797165-85
0.553
MAR-TRE-4b834d9a-69
0.553
MAR-TRE-f6f5f473-66
0.544
MAR-TRE-3e4e6814-60
0.542
MAR-TRE-9c797165-78
0.538
MAR-TRE-74c6519b-86
0.531
MAR-TRE-d0525fbf-89
0.531
MAR-TRE-b77b7921-98
0.521
MAR-TRE-04c86cea-60
0.521
MAR-TRE-3e4e6814-18
0.516
MAR-TRE-9c797165-23
0.516
MAR-TRE-3e4e6814-26
0.515
MAR-TRE-4b834d9a-54
0.510
MAR-TRE-b77b7921-68
0.510
MAR-TRE-74c6519b-6
0.505
MAR-TRE-d0525fbf-21
0.505
MAR-TRE-4b834d9a-76
0.505
MAR-TRE-7f7bb9f0-22
0.500
MAR-TRE-04c86cea-69
0.495
MAR-TRE-04c86cea-73
0.490
MAR-TRE-b77b7921-59
0.490
MAR-TRE-04c86cea-45
0.490
MAR-TRE-74c6519b-5
0.485
MAR-TRE-3e4e6814-10
0.484
MAR-TRE-7f7bb9f0-78
0.484
MAR-TRE-7f7bb9f0-71
0.480
MAR-TRE-b77b7921-45
0.471
MAR-TRE-b77b7921-27
0.470
MAR-TRE-f6f5f473-53
0.469
MAR-TRE-3e4e6814-69
0.467
MAR-TRE-b77b7921-43
0.465
MAR-TRE-4b834d9a-36
0.465
MAR-TRE-67513f76-23
0.458
MAR-TRE-f6f5f473-62
0.456
MAR-TRE-f6f5f473-16
0.455
MAR-TRE-f6f5f473-21
0.455
MAR-TRE-3e4e6814-75
0.453
MAR-TRE-04c86cea-66
0.452
MAR-TRE-b77b7921-54
0.452
MAR-TRE-67513f76-62
0.451
MAR-TRE-3e4e6814-11
0.451
MAR-TRE-04c86cea-36
0.450
MAR-TRE-04c86cea-63
0.450
MAR-TRE-04c86cea-20
0.449
MAR-TRE-67513f76-15
0.448
MAR-TRE-04c86cea-3
0.447
MAR-TRE-f6f5f473-82
0.440