Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NCc1ccco1 |
MW: | 366.11 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.06 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7202713733 |
MolPort: | MolPort-028-859-070 |
MAR-TRE-74c6519b-92
0.797
MAR-TRE-9c797165-85
0.756
MAR-TRE-3e4e6814-73
0.728
MAR-TRE-4b834d9a-60
0.713
MAR-TRE-74c6519b-86
0.686
MAR-TRE-4b834d9a-54
0.682
MAR-TRE-67513f76-11
0.679
MAR-TRE-d0525fbf-21
0.674
MAR-TRE-4b834d9a-69
0.674
MAR-TRE-4b834d9a-76
0.674
MAR-TRE-7f7bb9f0-22
0.667
MAR-TRE-74c6519b-30
0.663
MAR-TRE-4b834d9a-35
0.663
MAR-TRE-74c6519b-70
0.652
MAR-TRE-9c797165-78
0.643
MAR-TRE-7f7bb9f0-70
0.633
MAR-TRE-04c86cea-52
0.628
MAR-TRE-f6f5f473-17
0.625
MAR-TRE-d0525fbf-68
0.624
MAR-TRE-7f7bb9f0-78
0.622
MAR-TRE-b77b7921-59
0.621
MAR-TRE-d0525fbf-71
0.617
MAR-TRE-3e4e6814-86
0.614
MAR-TRE-d0525fbf-70
0.613
MAR-TRE-d0525fbf-37
0.611
MAR-TRE-7f7bb9f0-73
0.611
MAR-TRE-7f7bb9f0-71
0.604
MAR-TRE-67513f76-62
0.604
MAR-TRE-3e4e6814-75
0.600
MAR-TRE-67513f76-23
0.586
MAR-TRE-67513f76-15
0.579
MAR-TRE-f6f5f473-94
0.576
MAR-TRE-b77b7921-27
0.576
MAR-TRE-b77b7921-20
0.574
MAR-TRE-f6f5f473-55
0.573
MAR-TRE-67513f76-72
0.573
MAR-TRE-4b834d9a-36
0.570
MAR-TRE-b77b7921-43
0.570
MAR-TRE-3e4e6814-4
0.568
MAR-TRE-04c86cea-45
0.567
MAR-TRE-04c86cea-60
0.565
MAR-TRE-7f7bb9f0-17
0.565
MAR-TRE-7f7bb9f0-85
0.565
MAR-TRE-f6f5f473-22
0.564
MAR-TRE-4b834d9a-23
0.560
MAR-TRE-3e4e6814-33
0.560
MAR-TRE-f6f5f473-12
0.559
MAR-TRE-d0525fbf-2
0.557
MAR-TRE-f6f5f473-68
0.554
MAR-TRE-7f7bb9f0-1
0.551
MAR-TRE-d0525fbf-44
0.551
MAR-TRE-7f7bb9f0-3
0.547
MAR-TRE-d0525fbf-8
0.546
MAR-TRE-7f7bb9f0-65
0.545
MAR-TRE-d0525fbf-3
0.542
MAR-TRE-04c86cea-69
0.538
MAR-TRE-04c86cea-70
0.537
MAR-TRE-74c6519b-39
0.533
MAR-TRE-04c86cea-80
0.533
MAR-TRE-d0525fbf-60
0.531
MAR-TRE-d0525fbf-89
0.526
MAR-TRE-9c797165-100
0.525
MAR-TRE-3e4e6814-20
0.522
MAR-TRE-04c86cea-21
0.522
MAR-TRE-f6f5f473-20
0.522
MAR-TRE-f6f5f473-34
0.522
MAR-TRE-d0525fbf-6
0.520
MAR-TRE-3e4e6814-21
0.516
MAR-TRE-d0525fbf-12
0.515
MAR-TRE-3e4e6814-18
0.511
MAR-TRE-d0525fbf-9
0.510
MAR-TRE-3e4e6814-2
0.505
MAR-TRE-d0525fbf-79
0.500
MAR-TRE-04c86cea-33
0.500
MAR-TRE-04c86cea-58
0.495
MAR-TRE-f6f5f473-53
0.495
MAR-TRE-b77b7921-48
0.490
MAR-TRE-74c6519b-77
0.490
MAR-TRE-74c6519b-45
0.485
MAR-TRE-3e4e6814-69
0.477
MAR-TRE-3e4e6814-25
0.475
MAR-TRE-3e4e6814-60
0.475
MAR-TRE-4b834d9a-50
0.459
MAR-TRE-3e4e6814-26
0.452
MAR-TRE-d0525fbf-61
0.446
MAR-TRE-74c6519b-40
0.441
MAR-TRE-04c86cea-63
0.430
MAR-TRE-b77b7921-100
0.429
MAR-TRE-67513f76-27
0.421
MAR-TRE-04c86cea-57
0.417
MAR-TRE-b77b7921-98
0.412
MAR-TRE-67513f76-2
0.411
MAR-TRE-67513f76-18
0.411
MAR-TRE-74c6519b-16
0.406
MAR-TRE-04c86cea-9
0.406
MAR-TRE-3e4e6814-10
0.402
MAR-TRE-3e4e6814-19
0.400
MAR-TRE-f6f5f473-45
0.396
MAR-TRE-4b834d9a-32
0.396
MAR-TRE-b77b7921-68
0.394