Molecular Properties | |
SMILES: | COc1cc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)cc(OC)c1 |
MW: | 436.15 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 87.38 |
cLogP: | 2.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-859-094 |
MAR-TRE-d0525fbf-79
0.795
MAR-TRE-d0525fbf-68
0.773
MAR-TRE-d0525fbf-37
0.744
MAR-TRE-4b834d9a-60
0.732
MAR-TRE-7f7bb9f0-3
0.727
MAR-TRE-d0525fbf-70
0.722
MAR-TRE-3e4e6814-73
0.706
MAR-TRE-74c6519b-30
0.701
MAR-TRE-67513f76-11
0.698
MAR-TRE-4b834d9a-69
0.693
MAR-TRE-74c6519b-70
0.689
MAR-TRE-d0525fbf-71
0.688
MAR-TRE-4b834d9a-35
0.682
MAR-TRE-7f7bb9f0-73
0.681
MAR-TRE-d0525fbf-8
0.667
MAR-TRE-f6f5f473-17
0.663
MAR-TRE-9c797165-78
0.663
MAR-TRE-d0525fbf-21
0.656
MAR-TRE-4b834d9a-23
0.652
MAR-TRE-d0525fbf-2
0.642
MAR-TRE-9c797165-85
0.637
MAR-TRE-3e4e6814-21
0.637
MAR-TRE-d0525fbf-44
0.635
MAR-TRE-9c797165-23
0.633
MAR-TRE-04c86cea-33
0.632
MAR-TRE-7f7bb9f0-22
0.630
MAR-TRE-d0525fbf-9
0.630
MAR-TRE-74c6519b-86
0.630
MAR-TRE-04c86cea-52
0.629
MAR-TRE-4b834d9a-54
0.626
MAR-TRE-b77b7921-59
0.622
MAR-TRE-3e4e6814-2
0.621
MAR-TRE-d0525fbf-6
0.621
MAR-TRE-4b834d9a-76
0.620
MAR-TRE-7f7bb9f0-1
0.619
MAR-TRE-04c86cea-58
0.611
MAR-TRE-7f7bb9f0-78
0.605
MAR-TRE-f6f5f473-22
0.600
MAR-TRE-d0525fbf-3
0.594
MAR-TRE-d0525fbf-89
0.594
MAR-TRE-7f7bb9f0-71
0.589
MAR-TRE-b77b7921-48
0.588
MAR-TRE-04c86cea-80
0.587
MAR-TRE-b77b7921-20
0.577
MAR-TRE-f6f5f473-55
0.576
MAR-TRE-67513f76-23
0.571
MAR-TRE-74c6519b-39
0.570
MAR-TRE-04c86cea-60
0.568
MAR-TRE-d0525fbf-12
0.567
MAR-TRE-74c6519b-45
0.567
MAR-TRE-3e4e6814-75
0.567
MAR-TRE-f6f5f473-94
0.562
MAR-TRE-67513f76-62
0.557
MAR-TRE-04c86cea-70
0.557
MAR-TRE-3e4e6814-4
0.556
MAR-TRE-67513f76-15
0.550
MAR-TRE-b77b7921-27
0.546
MAR-TRE-f6f5f473-34
0.543
MAR-TRE-b77b7921-43
0.541
MAR-TRE-74c6519b-77
0.540
MAR-TRE-f6f5f473-12
0.531
MAR-TRE-67513f76-72
0.529
MAR-TRE-04c86cea-21
0.526
MAR-TRE-f6f5f473-20
0.526
MAR-TRE-4b834d9a-36
0.525
MAR-TRE-3e4e6814-18
0.516
MAR-TRE-3e4e6814-86
0.515
MAR-TRE-74c6519b-92
0.515
MAR-TRE-3e4e6814-20
0.511
MAR-TRE-f6f5f473-68
0.510
MAR-TRE-04c86cea-45
0.505
MAR-TRE-7f7bb9f0-65
0.500
MAR-TRE-9c797165-100
0.500
MAR-TRE-f6f5f473-53
0.485
MAR-TRE-3e4e6814-25
0.480
MAR-TRE-04c86cea-57
0.480
MAR-TRE-04c86cea-69
0.480
MAR-TRE-b77b7921-98
0.461
MAR-TRE-b77b7921-68
0.454
MAR-TRE-3e4e6814-60
0.452
MAR-TRE-3e4e6814-69
0.452
MAR-TRE-04c86cea-63
0.451
MAR-TRE-4b834d9a-3
0.450
MAR-TRE-04c86cea-20
0.450
MAR-TRE-4b834d9a-39
0.443
MAR-TRE-04c86cea-56
0.442
MAR-TRE-74c6519b-72
0.435
MAR-TRE-3e4e6814-26
0.431
MAR-TRE-7f7bb9f0-7
0.419
MAR-TRE-4b834d9a-18
0.419
MAR-TRE-04c86cea-73
0.419
MAR-TRE-f6f5f473-45
0.417
MAR-TRE-4b834d9a-2
0.416
MAR-TRE-4b834d9a-14
0.413
MAR-TRE-4b834d9a-25
0.412
MAR-TRE-4b834d9a-11
0.411
MAR-TRE-04c86cea-72
0.411
MAR-TRE-b77b7921-100
0.408
MAR-TRE-d0525fbf-22
0.400
MAR-TRE-04c86cea-9
0.400