Molecular Properties | |
SMILES: | COCCNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 |
MW: | 344.13 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 1.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5652976163 |
MolPort: | MolPort-028-859-037 |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-3e4e6814-18
0.784
MAR-TRE-4b834d9a-60
0.684
MAR-TRE-7f7bb9f0-78
0.675
MAR-TRE-b77b7921-59
0.671
MAR-TRE-7f7bb9f0-71
0.671
MAR-TRE-7f7bb9f0-70
0.663
MAR-TRE-3e4e6814-73
0.659
MAR-TRE-74c6519b-30
0.655
MAR-TRE-4b834d9a-54
0.655
MAR-TRE-67513f76-11
0.651
MAR-TRE-3e4e6814-75
0.650
MAR-TRE-9c797165-85
0.647
MAR-TRE-d0525fbf-71
0.644
MAR-TRE-9c797165-23
0.643
MAR-TRE-67513f76-15
0.640
MAR-TRE-d0525fbf-70
0.640
MAR-TRE-d0525fbf-37
0.640
MAR-TRE-74c6519b-86
0.640
MAR-TRE-4b834d9a-35
0.635
MAR-TRE-67513f76-23
0.634
MAR-TRE-67513f76-72
0.633
MAR-TRE-d0525fbf-68
0.633
MAR-TRE-4b834d9a-69
0.628
MAR-TRE-4b834d9a-76
0.628
MAR-TRE-d0525fbf-21
0.628
MAR-TRE-74c6519b-70
0.625
MAR-TRE-7f7bb9f0-22
0.621
MAR-TRE-7f7bb9f0-73
0.620
MAR-TRE-f6f5f473-17
0.616
MAR-TRE-67513f76-62
0.614
MAR-TRE-d0525fbf-89
0.600
MAR-TRE-04c86cea-52
0.581
MAR-TRE-7f7bb9f0-3
0.571
MAR-TRE-d0525fbf-3
0.565
MAR-TRE-3e4e6814-20
0.565
MAR-TRE-d0525fbf-2
0.564
MAR-TRE-7f7bb9f0-1
0.558
MAR-TRE-d0525fbf-44
0.558
MAR-TRE-7f7bb9f0-39
0.556
MAR-TRE-d0525fbf-8
0.553
MAR-TRE-7f7bb9f0-65
0.553
MAR-TRE-4b834d9a-23
0.551
MAR-TRE-f6f5f473-12
0.549
MAR-TRE-b77b7921-20
0.548
MAR-TRE-3e4e6814-25
0.543
MAR-TRE-04c86cea-70
0.543
MAR-TRE-3e4e6814-4
0.543
MAR-TRE-3e4e6814-21
0.538
MAR-TRE-f6f5f473-22
0.538
MAR-TRE-d0525fbf-9
0.533
MAR-TRE-9c797165-100
0.531
MAR-TRE-f6f5f473-55
0.528
MAR-TRE-d0525fbf-6
0.526
MAR-TRE-74c6519b-39
0.522
MAR-TRE-04c86cea-45
0.522
MAR-TRE-04c86cea-80
0.522
MAR-TRE-d0525fbf-12
0.521
MAR-TRE-f6f5f473-53
0.517
MAR-TRE-3e4e6814-86
0.516
MAR-TRE-74c6519b-92
0.516
MAR-TRE-b77b7921-27
0.516
MAR-TRE-3e4e6814-26
0.515
MAR-TRE-f6f5f473-94
0.512
MAR-TRE-f6f5f473-68
0.511
MAR-TRE-b77b7921-43
0.511
MAR-TRE-4b834d9a-36
0.511
MAR-TRE-b77b7921-48
0.510
MAR-TRE-3e4e6814-2
0.510
MAR-TRE-9c797165-74
0.506
MAR-TRE-04c86cea-60
0.505
MAR-TRE-d0525fbf-79
0.505
MAR-TRE-04c86cea-33
0.505
MAR-TRE-3e4e6814-69
0.500
MAR-TRE-74c6519b-77
0.495
MAR-TRE-3e4e6814-60
0.495
MAR-TRE-f6f5f473-34
0.495
MAR-TRE-74c6519b-45
0.490
MAR-TRE-04c86cea-58
0.485
MAR-TRE-04c86cea-57
0.479
MAR-TRE-f6f5f473-20
0.478
MAR-TRE-04c86cea-21
0.478
MAR-TRE-04c86cea-69
0.478
MAR-TRE-b77b7921-98
0.458
MAR-TRE-b77b7921-68
0.451
MAR-TRE-b77b7921-100
0.447
MAR-TRE-3e4e6814-10
0.435
MAR-TRE-74c6519b-72
0.431
MAR-TRE-4b834d9a-32
0.413
MAR-TRE-04c86cea-63
0.404
MAR-TRE-4b834d9a-30
0.385
MAR-TRE-04c86cea-73
0.373
MAR-TRE-67513f76-18
0.368
MAR-TRE-74c6519b-16
0.368
MAR-TRE-04c86cea-9
0.368
MAR-TRE-04c86cea-25
0.368
MAR-TRE-4b834d9a-14
0.366
MAR-TRE-04c86cea-89
0.364
MAR-TRE-3e4e6814-72
0.363
MAR-TRE-3e4e6814-19
0.362
MAR-TRE-04c86cea-88
0.362