Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3cc(F)ccc3F)c3cccnc32)cc1 |
MW: | 424.13 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7862822882 |
MolPort: | MolPort-028-858-990 |
MAR-TRE-7f7bb9f0-22
0.824
MAR-TRE-3e4e6814-4
0.807
MAR-TRE-4b834d9a-36
0.773
MAR-TRE-d0525fbf-2
0.769
MAR-TRE-d0525fbf-44
0.761
MAR-TRE-d0525fbf-3
0.736
MAR-TRE-d0525fbf-37
0.703
MAR-TRE-7f7bb9f0-3
0.688
MAR-TRE-d0525fbf-12
0.688
MAR-TRE-d0525fbf-8
0.684
MAR-TRE-7f7bb9f0-73
0.680
MAR-TRE-d0525fbf-71
0.670
MAR-TRE-d0525fbf-9
0.667
MAR-TRE-4b834d9a-23
0.652
MAR-TRE-d0525fbf-6
0.639
MAR-TRE-3e4e6814-2
0.639
MAR-TRE-3e4e6814-21
0.638
MAR-TRE-d0525fbf-21
0.621
MAR-TRE-7f7bb9f0-70
0.619
MAR-TRE-b77b7921-20
0.612
MAR-TRE-4b834d9a-54
0.611
MAR-TRE-d0525fbf-68
0.594
MAR-TRE-04c86cea-70
0.592
MAR-TRE-74c6519b-16
0.590
MAR-TRE-74c6519b-77
0.590
MAR-TRE-4b834d9a-76
0.588
MAR-TRE-3e4e6814-19
0.586
MAR-TRE-d0525fbf-70
0.584
MAR-TRE-f6f5f473-12
0.582
MAR-TRE-b77b7921-27
0.582
MAR-TRE-74c6519b-86
0.582
MAR-TRE-4b834d9a-60
0.581
MAR-TRE-4b834d9a-35
0.577
MAR-TRE-b77b7921-43
0.576
MAR-TRE-67513f76-11
0.573
MAR-TRE-3e4e6814-73
0.562
MAR-TRE-f6f5f473-17
0.561
MAR-TRE-74c6519b-30
0.561
MAR-TRE-9c797165-78
0.558
MAR-TRE-04c86cea-45
0.557
MAR-TRE-9c797165-85
0.556
MAR-TRE-4b834d9a-69
0.556
MAR-TRE-74c6519b-70
0.554
MAR-TRE-9c797165-23
0.551
MAR-TRE-d0525fbf-89
0.549
MAR-TRE-d0525fbf-79
0.540
MAR-TRE-f6f5f473-22
0.539
MAR-TRE-04c86cea-33
0.538
MAR-TRE-04c86cea-52
0.531
MAR-TRE-f6f5f473-68
0.530
MAR-TRE-7f7bb9f0-5
0.529
MAR-TRE-b77b7921-48
0.529
MAR-TRE-b77b7921-59
0.525
MAR-TRE-74c6519b-39
0.525
MAR-TRE-7f7bb9f0-9
0.519
MAR-TRE-04c86cea-58
0.519
MAR-TRE-04c86cea-69
0.515
MAR-TRE-f6f5f473-55
0.515
MAR-TRE-04c86cea-60
0.510
MAR-TRE-74c6519b-45
0.510
MAR-TRE-7f7bb9f0-78
0.505
MAR-TRE-3e4e6814-86
0.505
MAR-TRE-74c6519b-92
0.505
MAR-TRE-f6f5f473-94
0.500
MAR-TRE-04c86cea-57
0.500
MAR-TRE-04c86cea-21
0.500
MAR-TRE-04c86cea-80
0.495
MAR-TRE-3e4e6814-75
0.490
MAR-TRE-67513f76-62
0.486
MAR-TRE-7f7bb9f0-71
0.486
MAR-TRE-f6f5f473-34
0.485
MAR-TRE-b77b7921-98
0.481
MAR-TRE-67513f76-23
0.480
MAR-TRE-3e4e6814-18
0.475
MAR-TRE-f6f5f473-20
0.471
MAR-TRE-67513f76-15
0.455
MAR-TRE-67513f76-72
0.450
MAR-TRE-04c86cea-56
0.449
MAR-TRE-f6f5f473-53
0.447
MAR-TRE-04c86cea-25
0.445
MAR-TRE-04c86cea-9
0.445
MAR-TRE-3e4e6814-25
0.444
MAR-TRE-3e4e6814-60
0.444
MAR-TRE-9c797165-25
0.443
MAR-TRE-3e4e6814-20
0.441
MAR-TRE-d0525fbf-23
0.434
MAR-TRE-b77b7921-68
0.434
MAR-TRE-3e4e6814-69
0.429
MAR-TRE-f6f5f473-26
0.427
MAR-TRE-9c797165-100
0.425
MAR-TRE-4b834d9a-39
0.422
MAR-TRE-7f7bb9f0-65
0.417
MAR-TRE-74c6519b-72
0.416
MAR-TRE-4b834d9a-8
0.413
MAR-TRE-3e4e6814-26
0.412
MAR-TRE-d0525fbf-43
0.410
MAR-TRE-04c86cea-20
0.405
MAR-TRE-4b834d9a-99
0.404
MAR-TRE-04c86cea-63
0.404
MAR-TRE-d0525fbf-28
0.402