Molecular Properties | |
SMILES: | CC(C)NC(=O)Cn1c(=O)n(-c2ccccc2)c2ncccc21 |
MW: | 310.14 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 68.92 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1670996153 |
MolPort: | MolPort-010-917-420 |
MAR-TRE-b77b7921-100
0.730
MAR-TRE-b77b7921-98
0.692
MAR-TRE-3e4e6814-18
0.653
MAR-TRE-f6f5f473-94
0.649
MAR-TRE-74c6519b-72
0.643
MAR-TRE-f6f5f473-53
0.628
MAR-TRE-04c86cea-69
0.620
MAR-TRE-f6f5f473-34
0.620
MAR-TRE-f6f5f473-20
0.600
MAR-TRE-04c86cea-21
0.600
MAR-TRE-04c86cea-52
0.600
MAR-TRE-04c86cea-45
0.593
MAR-TRE-04c86cea-60
0.590
MAR-TRE-d0525fbf-79
0.590
MAR-TRE-4b834d9a-32
0.584
MAR-TRE-04c86cea-58
0.581
MAR-TRE-74c6519b-45
0.570
MAR-TRE-b77b7921-27
0.565
MAR-TRE-4b834d9a-36
0.558
MAR-TRE-b77b7921-43
0.558
MAR-TRE-74c6519b-77
0.557
MAR-TRE-f6f5f473-55
0.542
MAR-TRE-04c86cea-57
0.540
MAR-TRE-7f7bb9f0-78
0.532
MAR-TRE-4b834d9a-23
0.529
MAR-TRE-3e4e6814-73
0.524
MAR-TRE-67513f76-23
0.518
MAR-TRE-3e4e6814-75
0.512
MAR-TRE-d0525fbf-89
0.511
MAR-TRE-b77b7921-68
0.505
MAR-TRE-9c797165-78
0.500
MAR-TRE-74c6519b-92
0.494
MAR-TRE-f6f5f473-68
0.489
MAR-TRE-4b834d9a-60
0.488
MAR-TRE-d0525fbf-12
0.484
MAR-TRE-4b834d9a-76
0.483
MAR-TRE-04c86cea-80
0.483
MAR-TRE-b77b7921-59
0.483
MAR-TRE-74c6519b-39
0.483
MAR-TRE-f6f5f473-12
0.478
MAR-TRE-74c6519b-86
0.478
MAR-TRE-9c797165-23
0.477
MAR-TRE-3e4e6814-86
0.477
MAR-TRE-3e4e6814-60
0.473
MAR-TRE-04c86cea-70
0.473
MAR-TRE-f6f5f473-17
0.472
MAR-TRE-74c6519b-30
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MAR-TRE-4b834d9a-54
0.472
MAR-TRE-f6f5f473-22
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MAR-TRE-74c6519b-70
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MAR-TRE-9c797165-85
0.467
MAR-TRE-4b834d9a-69
0.467
MAR-TRE-3e4e6814-21
0.467
MAR-TRE-67513f76-11
0.466
MAR-TRE-d0525fbf-3
0.462
MAR-TRE-d0525fbf-9
0.462
MAR-TRE-d0525fbf-37
0.462
MAR-TRE-d0525fbf-6
0.457
MAR-TRE-3e4e6814-2
0.457
MAR-TRE-3e4e6814-25
0.457
MAR-TRE-67513f76-62
0.457
MAR-TRE-4b834d9a-35
0.456
MAR-TRE-04c86cea-33
0.453
MAR-TRE-d0525fbf-8
0.453
MAR-TRE-7f7bb9f0-70
0.452
MAR-TRE-7f7bb9f0-3
0.452
MAR-TRE-d0525fbf-21
0.451
MAR-TRE-74c6519b-65
0.448
MAR-TRE-d0525fbf-68
0.448
MAR-TRE-3e4e6814-26
0.448
MAR-TRE-b77b7921-20
0.447
MAR-TRE-3e4e6814-1
0.446
MAR-TRE-7f7bb9f0-22
0.446
MAR-TRE-3e4e6814-4
0.442
MAR-TRE-b77b7921-48
0.442
MAR-TRE-3e4e6814-10
0.442
MAR-TRE-7f7bb9f0-71
0.441
MAR-TRE-3e4e6814-3
0.440
MAR-TRE-7f7bb9f0-73
0.439
MAR-TRE-d0525fbf-70
0.438
MAR-TRE-3e4e6814-20
0.437
MAR-TRE-9c797165-100
0.433
MAR-TRE-67513f76-72
0.433
MAR-TRE-d0525fbf-2
0.433
MAR-TRE-7f7bb9f0-1
0.429
MAR-TRE-d0525fbf-44
0.429
MAR-TRE-d0525fbf-71
0.429
MAR-TRE-7f7bb9f0-65
0.425
MAR-TRE-67513f76-15
0.423
MAR-TRE-9c797165-36
0.420
MAR-TRE-3e4e6814-36
0.402
MAR-TRE-04c86cea-11
0.398
MAR-TRE-4b834d9a-87
0.389
MAR-TRE-f6f5f473-40
0.389
MAR-TRE-7f7bb9f0-57
0.389
MAR-TRE-4b834d9a-30
0.388
MAR-TRE-f6f5f473-82
0.383
MAR-TRE-3e4e6814-76
0.383
MAR-TRE-3e4e6814-5
0.379
MAR-TRE-9c797165-89
0.378