Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)NCc3cc(F)ccc3F)c3cccnc32)cc1 |
MW: | 408.14 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.92 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1415329516 |
MolPort: | MolPort-028-858-919 |
MAR-TRE-7f7bb9f0-22
0.854
MAR-TRE-7f7bb9f0-1
0.807
MAR-TRE-4b834d9a-36
0.800
MAR-TRE-b77b7921-20
0.761
MAR-TRE-f6f5f473-12
0.727
MAR-TRE-f6f5f473-17
0.685
MAR-TRE-04c86cea-70
0.681
MAR-TRE-f6f5f473-22
0.674
MAR-TRE-f6f5f473-68
0.667
MAR-TRE-74c6519b-30
0.648
MAR-TRE-74c6519b-39
0.644
MAR-TRE-d0525fbf-21
0.641
MAR-TRE-74c6519b-92
0.637
MAR-TRE-f6f5f473-55
0.633
MAR-TRE-4b834d9a-54
0.630
MAR-TRE-04c86cea-80
0.626
MAR-TRE-3e4e6814-86
0.620
MAR-TRE-74c6519b-86
0.617
MAR-TRE-d0525fbf-2
0.612
MAR-TRE-b77b7921-48
0.608
MAR-TRE-74c6519b-16
0.608
MAR-TRE-4b834d9a-76
0.606
MAR-TRE-d0525fbf-44
0.606
MAR-TRE-3e4e6814-19
0.604
MAR-TRE-74c6519b-70
0.604
MAR-TRE-b77b7921-27
0.600
MAR-TRE-7f7bb9f0-73
0.600
MAR-TRE-b77b7921-43
0.594
MAR-TRE-d0525fbf-71
0.590
MAR-TRE-04c86cea-33
0.586
MAR-TRE-4b834d9a-60
0.582
MAR-TRE-d0525fbf-3
0.582
MAR-TRE-4b834d9a-35
0.579
MAR-TRE-04c86cea-45
0.574
MAR-TRE-67513f76-11
0.574
MAR-TRE-9c797165-85
0.573
MAR-TRE-4b834d9a-69
0.573
MAR-TRE-3e4e6814-21
0.573
MAR-TRE-9c797165-23
0.568
MAR-TRE-3e4e6814-73
0.564
MAR-TRE-f6f5f473-34
0.564
MAR-TRE-3e4e6814-60
0.561
MAR-TRE-7f7bb9f0-5
0.560
MAR-TRE-7f7bb9f0-70
0.556
MAR-TRE-d0525fbf-70
0.554
MAR-TRE-d0525fbf-37
0.551
MAR-TRE-3e4e6814-25
0.545
MAR-TRE-9c797165-78
0.543
MAR-TRE-7f7bb9f0-3
0.540
MAR-TRE-d0525fbf-12
0.540
MAR-TRE-d0525fbf-8
0.539
MAR-TRE-7f7bb9f0-9
0.535
MAR-TRE-d0525fbf-68
0.534
MAR-TRE-04c86cea-52
0.531
MAR-TRE-04c86cea-69
0.531
MAR-TRE-3e4e6814-2
0.529
MAR-TRE-b77b7921-59
0.526
MAR-TRE-04c86cea-60
0.525
MAR-TRE-7f7bb9f0-78
0.522
MAR-TRE-d0525fbf-9
0.520
MAR-TRE-3e4e6814-26
0.519
MAR-TRE-74c6519b-77
0.515
MAR-TRE-3e4e6814-75
0.505
MAR-TRE-4b834d9a-23
0.505
MAR-TRE-b77b7921-68
0.500
MAR-TRE-f6f5f473-94
0.500
MAR-TRE-67513f76-62
0.500
MAR-TRE-d0525fbf-6
0.500
MAR-TRE-04c86cea-21
0.500
MAR-TRE-04c86cea-57
0.500
MAR-TRE-67513f76-23
0.495
MAR-TRE-3e4e6814-10
0.490
MAR-TRE-7f7bb9f0-71
0.485
MAR-TRE-74c6519b-45
0.481
MAR-TRE-d0525fbf-79
0.480
MAR-TRE-f6f5f473-20
0.470
MAR-TRE-67513f76-15
0.467
MAR-TRE-67513f76-72
0.463
MAR-TRE-4b834d9a-30
0.462
MAR-TRE-04c86cea-58
0.462
MAR-TRE-3e4e6814-18
0.459
MAR-TRE-04c86cea-9
0.458
MAR-TRE-3e4e6814-20
0.455
MAR-TRE-d0525fbf-89
0.449
MAR-TRE-f6f5f473-53
0.446
MAR-TRE-3e4e6814-69
0.442
MAR-TRE-f6f5f473-26
0.439
MAR-TRE-f6f5f473-88
0.438
MAR-TRE-9c797165-100
0.436
MAR-TRE-04c86cea-74
0.435
MAR-TRE-f6f5f473-43
0.433
MAR-TRE-7f7bb9f0-65
0.430
MAR-TRE-04c86cea-25
0.418
MAR-TRE-4b834d9a-99
0.416
MAR-TRE-4b834d9a-33
0.412
MAR-TRE-04c86cea-73
0.411
MAR-TRE-f6f5f473-72
0.409
MAR-TRE-d0525fbf-4
0.409
MAR-TRE-d0525fbf-7
0.405
MAR-TRE-04c86cea-12
0.405