Molecular Properties | |
SMILES: | CC1CCN(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)CC1 |
MW: | 368.16 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 60.13 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-028-859-079 |
MAR-TRE-7f7bb9f0-65
0.747
MAR-TRE-3e4e6814-75
0.617
MAR-TRE-7f7bb9f0-78
0.600
MAR-TRE-3e4e6814-10
0.598
MAR-TRE-b77b7921-59
0.581
MAR-TRE-4b834d9a-32
0.573
MAR-TRE-67513f76-23
0.565
MAR-TRE-9c797165-78
0.565
MAR-TRE-4b834d9a-30
0.554
MAR-TRE-4b834d9a-60
0.553
MAR-TRE-67513f76-62
0.549
MAR-TRE-3e4e6814-73
0.534
MAR-TRE-74c6519b-30
0.533
MAR-TRE-7f7bb9f0-71
0.533
MAR-TRE-67513f76-11
0.528
MAR-TRE-4b834d9a-76
0.527
MAR-TRE-9c797165-85
0.527
MAR-TRE-67513f76-15
0.526
MAR-TRE-9c797165-23
0.522
MAR-TRE-74c6519b-86
0.522
MAR-TRE-7f7bb9f0-22
0.522
MAR-TRE-4b834d9a-54
0.516
MAR-TRE-4b834d9a-35
0.516
MAR-TRE-d0525fbf-21
0.511
MAR-TRE-4b834d9a-69
0.511
MAR-TRE-7f7bb9f0-70
0.511
MAR-TRE-74c6519b-70
0.511
MAR-TRE-d0525fbf-89
0.505
MAR-TRE-67513f76-72
0.505
MAR-TRE-f6f5f473-17
0.500
MAR-TRE-d0525fbf-70
0.495
MAR-TRE-d0525fbf-68
0.490
MAR-TRE-9c797165-100
0.490
MAR-TRE-d0525fbf-37
0.489
MAR-TRE-d0525fbf-71
0.485
MAR-TRE-7f7bb9f0-73
0.480
MAR-TRE-04c86cea-52
0.467
MAR-TRE-3e4e6814-4
0.455
MAR-TRE-b77b7921-20
0.444
MAR-TRE-7f7bb9f0-1
0.441
MAR-TRE-f6f5f473-53
0.441
MAR-TRE-3e4e6814-60
0.439
MAR-TRE-3e4e6814-69
0.437
MAR-TRE-7f7bb9f0-3
0.434
MAR-TRE-f6f5f473-22
0.434
MAR-TRE-d0525fbf-2
0.431
MAR-TRE-f6f5f473-12
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MAR-TRE-d0525fbf-44
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MAR-TRE-4b834d9a-36
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MAR-TRE-3e4e6814-25
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MAR-TRE-3e4e6814-18
0.424
MAR-TRE-d0525fbf-8
0.422
MAR-TRE-f6f5f473-55
0.421
MAR-TRE-74c6519b-39
0.417
MAR-TRE-04c86cea-80
0.417
MAR-TRE-d0525fbf-3
0.416
MAR-TRE-b77b7921-27
0.414
MAR-TRE-4b834d9a-23
0.412
MAR-TRE-3e4e6814-86
0.412
MAR-TRE-74c6519b-92
0.412
MAR-TRE-b77b7921-43
0.410
MAR-TRE-04c86cea-70
0.410
MAR-TRE-f6f5f473-68
0.408
MAR-TRE-d0525fbf-12
0.406
MAR-TRE-3e4e6814-21
0.404
MAR-TRE-04c86cea-60
0.404
MAR-TRE-3e4e6814-26
0.404
MAR-TRE-f6f5f473-94
0.402
MAR-TRE-04c86cea-45
0.402
MAR-TRE-d0525fbf-9
0.400
MAR-TRE-04c86cea-57
0.396
MAR-TRE-f6f5f473-34
0.392
MAR-TRE-b77b7921-100
0.392
MAR-TRE-04c86cea-69
0.392
MAR-TRE-d0525fbf-6
0.385
MAR-TRE-3e4e6814-2
0.385
MAR-TRE-b77b7921-48
0.385
MAR-TRE-04c86cea-33
0.381
MAR-TRE-f6f5f473-20
0.378
MAR-TRE-04c86cea-21
0.378
MAR-TRE-d0525fbf-79
0.376
MAR-TRE-b77b7921-98
0.376
MAR-TRE-b77b7921-68
0.374
MAR-TRE-04c86cea-63
0.366
MAR-TRE-74c6519b-45
0.365
MAR-TRE-7f7bb9f0-29
0.365
MAR-TRE-04c86cea-58
0.362
MAR-TRE-9c797165-61
0.361
MAR-TRE-74c6519b-77
0.358
MAR-TRE-9c797165-40
0.357
MAR-TRE-74c6519b-72
0.355
MAR-TRE-d0525fbf-100
0.346
MAR-TRE-74c6519b-36
0.346
MAR-TRE-b77b7921-69
0.343
ANT-DIA-62e4526e-1
0.341
MAR-TRE-d0525fbf-88
0.337
MAR-TRE-04c86cea-9
0.333
MAR-TRE-74c6519b-16
0.333
MAR-TRE-04c86cea-89
0.330
MAR-TRE-4b834d9a-51
0.330