Molecular Properties | |
SMILES: | COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)c1 |
MW: | 406.14 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7347526709 |
MolPort: | MolPort-028-859-073 |
MAR-TRE-04c86cea-33
0.828
MAR-TRE-04c86cea-58
0.805
MAR-TRE-7f7bb9f0-70
0.773
MAR-TRE-4b834d9a-69
0.759
MAR-TRE-74c6519b-70
0.753
MAR-TRE-d0525fbf-8
0.728
MAR-TRE-d0525fbf-70
0.728
MAR-TRE-d0525fbf-37
0.711
MAR-TRE-4b834d9a-60
0.698
MAR-TRE-3e4e6814-73
0.693
MAR-TRE-d0525fbf-6
0.681
MAR-TRE-3e4e6814-2
0.681
MAR-TRE-d0525fbf-71
0.677
MAR-TRE-74c6519b-30
0.670
MAR-TRE-7f7bb9f0-73
0.670
MAR-TRE-67513f76-11
0.667
MAR-TRE-f6f5f473-22
0.660
MAR-TRE-7f7bb9f0-3
0.660
MAR-TRE-4b834d9a-35
0.652
MAR-TRE-4b834d9a-23
0.641
MAR-TRE-f6f5f473-17
0.634
MAR-TRE-9c797165-78
0.633
MAR-TRE-04c86cea-60
0.628
MAR-TRE-9c797165-85
0.628
MAR-TRE-9c797165-23
0.624
MAR-TRE-4b834d9a-3
0.620
MAR-TRE-d0525fbf-21
0.611
MAR-TRE-3e4e6814-21
0.611
MAR-TRE-d0525fbf-79
0.611
MAR-TRE-d0525fbf-9
0.604
MAR-TRE-7f7bb9f0-22
0.604
MAR-TRE-74c6519b-86
0.604
MAR-TRE-04c86cea-20
0.604
MAR-TRE-04c86cea-52
0.602
MAR-TRE-4b834d9a-54
0.600
MAR-TRE-d0525fbf-2
0.600
MAR-TRE-b77b7921-48
0.596
MAR-TRE-7f7bb9f0-1
0.594
MAR-TRE-d0525fbf-44
0.594
MAR-TRE-4b834d9a-76
0.594
MAR-TRE-d0525fbf-89
0.586
MAR-TRE-b77b7921-59
0.579
MAR-TRE-04c86cea-80
0.579
MAR-TRE-7f7bb9f0-78
0.578
MAR-TRE-74c6519b-45
0.576
MAR-TRE-d0525fbf-3
0.570
MAR-TRE-f6f5f473-55
0.568
MAR-TRE-f6f5f473-94
0.554
MAR-TRE-7f7bb9f0-71
0.550
MAR-TRE-d0525fbf-22
0.549
MAR-TRE-67513f76-23
0.547
MAR-TRE-74c6519b-39
0.546
MAR-TRE-d0525fbf-12
0.545
MAR-TRE-3e4e6814-75
0.543
MAR-TRE-b77b7921-20
0.539
MAR-TRE-04c86cea-70
0.535
MAR-TRE-67513f76-62
0.535
MAR-TRE-3e4e6814-4
0.534
MAR-TRE-74c6519b-77
0.534
MAR-TRE-67513f76-15
0.529
MAR-TRE-67513f76-72
0.524
MAR-TRE-f6f5f473-34
0.520
MAR-TRE-b77b7921-10
0.519
MAR-TRE-3e4e6814-86
0.510
MAR-TRE-74c6519b-92
0.510
MAR-TRE-b77b7921-27
0.510
MAR-TRE-f6f5f473-12
0.510
MAR-TRE-f6f5f473-20
0.505
MAR-TRE-04c86cea-21
0.505
MAR-TRE-4b834d9a-36
0.505
MAR-TRE-b77b7921-43
0.505
MAR-TRE-3e4e6814-18
0.495
MAR-TRE-f6f5f473-68
0.490
MAR-TRE-3e4e6814-20
0.490
MAR-TRE-04c86cea-45
0.485
MAR-TRE-4b834d9a-2
0.485
MAR-TRE-9c797165-100
0.481
MAR-TRE-7f7bb9f0-65
0.480
MAR-TRE-04c86cea-57
0.476
MAR-TRE-4b834d9a-94
0.471
MAR-TRE-f6f5f473-45
0.467
MAR-TRE-4b834d9a-25
0.465
MAR-TRE-04c86cea-72
0.462
MAR-TRE-04c86cea-69
0.461
MAR-TRE-b77b7921-98
0.457
MAR-TRE-f6f5f473-53
0.451
MAR-TRE-3e4e6814-25
0.449
MAR-TRE-3e4e6814-69
0.448
MAR-TRE-3e4e6814-72
0.448
MAR-TRE-b77b7921-11
0.446
MAR-TRE-f6f5f473-72
0.440
MAR-TRE-4b834d9a-39
0.440
MAR-TRE-b77b7921-68
0.438
MAR-TRE-4b834d9a-21
0.435
MAR-TRE-3e4e6814-60
0.435
MAR-TRE-04c86cea-63
0.434
MAR-TRE-3e4e6814-26
0.429
MAR-TRE-f6f5f473-96
0.427
MAR-TRE-74c6519b-25
0.427
MAR-TRE-04c86cea-56
0.426