Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3F)c3cccnc32)cc1 |
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-8433816883 |
MolPort: | MolPort-028-858-996 |
MAR-TRE-f6f5f473-12
0.798
MAR-TRE-4b834d9a-54
0.795
MAR-TRE-04c86cea-45
0.771
MAR-TRE-d0525fbf-2
0.764
MAR-TRE-d0525fbf-12
0.759
MAR-TRE-7f7bb9f0-1
0.736
MAR-TRE-4b834d9a-23
0.701
MAR-TRE-d0525fbf-44
0.699
MAR-TRE-d0525fbf-37
0.697
MAR-TRE-7f7bb9f0-3
0.681
MAR-TRE-d0525fbf-9
0.678
MAR-TRE-3e4e6814-21
0.667
MAR-TRE-d0525fbf-8
0.660
MAR-TRE-3e4e6814-2
0.649
MAR-TRE-7f7bb9f0-73
0.639
MAR-TRE-04c86cea-70
0.634
MAR-TRE-d0525fbf-6
0.632
MAR-TRE-d0525fbf-71
0.629
MAR-TRE-74c6519b-86
0.624
MAR-TRE-d0525fbf-21
0.613
MAR-TRE-4b834d9a-76
0.613
MAR-TRE-b77b7921-20
0.604
MAR-TRE-f6f5f473-68
0.602
MAR-TRE-74c6519b-77
0.598
MAR-TRE-7f7bb9f0-70
0.594
MAR-TRE-7f7bb9f0-22
0.589
MAR-TRE-b77b7921-27
0.589
MAR-TRE-3e4e6814-4
0.582
MAR-TRE-4b834d9a-99
0.578
MAR-TRE-4b834d9a-33
0.571
MAR-TRE-4b834d9a-60
0.571
MAR-TRE-d0525fbf-68
0.570
MAR-TRE-3e4e6814-73
0.570
MAR-TRE-04c86cea-69
0.570
MAR-TRE-4b834d9a-36
0.567
MAR-TRE-9c797165-78
0.565
MAR-TRE-d0525fbf-79
0.562
MAR-TRE-f6f5f473-26
0.561
MAR-TRE-f6f5f473-55
0.553
MAR-TRE-4b834d9a-35
0.552
MAR-TRE-74c6519b-30
0.552
MAR-TRE-f6f5f473-17
0.552
MAR-TRE-67513f76-11
0.547
MAR-TRE-9c797165-85
0.546
MAR-TRE-d0525fbf-70
0.545
MAR-TRE-04c86cea-33
0.545
MAR-TRE-9c797165-23
0.542
MAR-TRE-04c86cea-58
0.540
MAR-TRE-d0525fbf-89
0.540
MAR-TRE-f6f5f473-94
0.538
MAR-TRE-04c86cea-52
0.537
MAR-TRE-b77b7921-43
0.535
MAR-TRE-74c6519b-39
0.531
MAR-TRE-74c6519b-70
0.530
MAR-TRE-3e4e6814-18
0.527
MAR-TRE-3e4e6814-86
0.526
MAR-TRE-74c6519b-92
0.526
MAR-TRE-04c86cea-21
0.521
MAR-TRE-f6f5f473-34
0.521
MAR-TRE-04c86cea-57
0.520
MAR-TRE-b77b7921-48
0.520
MAR-TRE-04c86cea-80
0.515
MAR-TRE-4b834d9a-69
0.515
MAR-TRE-b77b7921-98
0.515
MAR-TRE-f6f5f473-22
0.515
MAR-TRE-74c6519b-45
0.515
MAR-TRE-4b834d9a-15
0.510
MAR-TRE-04c86cea-74
0.510
MAR-TRE-f6f5f473-20
0.505
MAR-TRE-b77b7921-59
0.500
MAR-TRE-04c86cea-60
0.500
MAR-TRE-4b834d9a-9
0.495
MAR-TRE-7f7bb9f0-78
0.495
MAR-TRE-7f7bb9f0-71
0.476
MAR-TRE-67513f76-23
0.469
MAR-TRE-f6f5f473-53
0.465
MAR-TRE-3e4e6814-75
0.464
MAR-TRE-3e4e6814-69
0.462
MAR-TRE-67513f76-62
0.462
MAR-TRE-3e4e6814-25
0.462
MAR-TRE-04c86cea-56
0.452
MAR-TRE-04c86cea-25
0.449
MAR-TRE-3e4e6814-60
0.448
MAR-TRE-67513f76-15
0.444
MAR-TRE-4b834d9a-8
0.444
MAR-TRE-67513f76-72
0.440
MAR-TRE-d0525fbf-43
0.440
MAR-TRE-4b834d9a-39
0.439
MAR-TRE-9c797165-25
0.433
MAR-TRE-9c797165-100
0.427
MAR-TRE-3e4e6814-26
0.427
MAR-TRE-b77b7921-68
0.423
MAR-TRE-d0525fbf-23
0.423
MAR-TRE-04c86cea-9
0.422
MAR-TRE-74c6519b-72
0.418
MAR-TRE-b77b7921-100
0.417
MAR-TRE-3e4e6814-19
0.417
MAR-TRE-3e4e6814-20
0.416
MAR-TRE-4b834d9a-55
0.410
MAR-TRE-4b834d9a-95
0.410