Molecular Properties | |
SMILES: | COc1ccc(-n2c(=O)n(CC(=O)NCc3cccc(F)c3)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-7984696394 |
MolPort: | MolPort-028-858-988 |
MAR-TRE-4b834d9a-69
0.810
MAR-TRE-f6f5f473-22
0.802
MAR-TRE-d0525fbf-6
0.784
MAR-TRE-3e4e6814-2
0.784
MAR-TRE-7f7bb9f0-3
0.782
MAR-TRE-04c86cea-60
0.767
MAR-TRE-d0525fbf-37
0.759
MAR-TRE-4b834d9a-23
0.744
MAR-TRE-d0525fbf-68
0.728
MAR-TRE-d0525fbf-2
0.710
MAR-TRE-3e4e6814-21
0.708
MAR-TRE-d0525fbf-44
0.702
MAR-TRE-d0525fbf-9
0.700
MAR-TRE-7f7bb9f0-1
0.684
MAR-TRE-04c86cea-33
0.681
MAR-TRE-7f7bb9f0-70
0.667
MAR-TRE-74c6519b-70
0.667
MAR-TRE-d0525fbf-3
0.660
MAR-TRE-04c86cea-58
0.660
MAR-TRE-d0525fbf-70
0.646
MAR-TRE-d0525fbf-12
0.632
MAR-TRE-4b834d9a-60
0.629
MAR-TRE-3e4e6814-73
0.626
MAR-TRE-7f7bb9f0-73
0.610
MAR-TRE-74c6519b-30
0.606
MAR-TRE-f6f5f473-17
0.606
MAR-TRE-67513f76-11
0.602
MAR-TRE-b77b7921-48
0.602
MAR-TRE-d0525fbf-71
0.600
MAR-TRE-d0525fbf-79
0.600
MAR-TRE-f6f5f473-55
0.591
MAR-TRE-4b834d9a-35
0.589
MAR-TRE-4b834d9a-2
0.587
MAR-TRE-74c6519b-45
0.582
MAR-TRE-4b834d9a-25
0.581
MAR-TRE-f6f5f473-94
0.578
MAR-TRE-f6f5f473-45
0.576
MAR-TRE-04c86cea-52
0.574
MAR-TRE-04c86cea-72
0.571
MAR-TRE-74c6519b-39
0.568
MAR-TRE-04c86cea-80
0.568
MAR-TRE-d0525fbf-21
0.567
MAR-TRE-d0525fbf-89
0.560
MAR-TRE-b77b7921-20
0.560
MAR-TRE-9c797165-78
0.553
MAR-TRE-9c797165-85
0.551
MAR-TRE-9c797165-23
0.546
MAR-TRE-7f7bb9f0-22
0.545
MAR-TRE-f6f5f473-34
0.542
MAR-TRE-3e4e6814-4
0.539
MAR-TRE-74c6519b-77
0.539
MAR-TRE-74c6519b-86
0.530
MAR-TRE-b77b7921-27
0.530
MAR-TRE-f6f5f473-20
0.526
MAR-TRE-04c86cea-21
0.526
MAR-TRE-4b834d9a-54
0.525
MAR-TRE-4b834d9a-21
0.525
MAR-TRE-04c86cea-57
0.525
MAR-TRE-04c86cea-70
0.525
MAR-TRE-b77b7921-43
0.525
MAR-TRE-4b834d9a-76
0.520
MAR-TRE-3e4e6814-86
0.515
MAR-TRE-74c6519b-92
0.515
MAR-TRE-f6f5f473-12
0.515
MAR-TRE-4b834d9a-36
0.510
MAR-TRE-b77b7921-59
0.505
MAR-TRE-b77b7921-98
0.505
MAR-TRE-4b834d9a-20
0.505
MAR-TRE-04c86cea-20
0.505
MAR-TRE-7f7bb9f0-78
0.500
MAR-TRE-7f7bb9f0-71
0.495
MAR-TRE-f6f5f473-68
0.495
MAR-TRE-4b834d9a-3
0.495
MAR-TRE-04c86cea-45
0.490
MAR-TRE-04c86cea-56
0.485
MAR-TRE-3e4e6814-18
0.485
MAR-TRE-67513f76-23
0.475
MAR-TRE-4b834d9a-39
0.474
MAR-TRE-67513f76-72
0.472
MAR-TRE-3e4e6814-75
0.469
MAR-TRE-67513f76-62
0.467
MAR-TRE-3e4e6814-25
0.467
MAR-TRE-04c86cea-69
0.465
MAR-TRE-67513f76-15
0.463
MAR-TRE-f6f5f473-72
0.458
MAR-TRE-3e4e6814-69
0.453
MAR-TRE-3e4e6814-26
0.445
MAR-TRE-f6f5f473-96
0.444
MAR-TRE-b77b7921-68
0.441
MAR-TRE-f6f5f473-53
0.441
MAR-TRE-d0525fbf-22
0.440
MAR-TRE-3e4e6814-60
0.439
MAR-TRE-b77b7921-11
0.436
MAR-TRE-74c6519b-25
0.431
MAR-TRE-04c86cea-63
0.425
MAR-TRE-74c6519b-72
0.423
MAR-TRE-3e4e6814-20
0.422
MAR-TRE-9c797165-100
0.420
MAR-TRE-b77b7921-10
0.417
MAR-TRE-f6f5f473-82
0.415