Molecular Properties | |
SMILES: | CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N)nc1)C2=O |
MW: | 345.18 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 117.42 |
cLogP: | 1.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8453990913 |
MolPort: | MolPort-045-075-728 |
hydantoin
aniline
MAR-TRE-74c6519b-53
0.729
MAR-TRE-b77b7921-63
0.708
MAR-TRE-04c86cea-62
0.571
MAR-TRE-67513f76-3
0.494
MAR-TRE-b77b7921-91
0.476
MAR-TRE-7f7bb9f0-20
0.450
MAR-TRE-7f7bb9f0-45
0.429
MAR-TRE-67513f76-99
0.425
MAR-TRE-f6f5f473-30
0.419
MAR-TRE-7f7bb9f0-14
0.393
MAR-TRE-9c797165-70
0.378
MAR-TRE-7f7bb9f0-86
0.376
MAR-TRE-67513f76-14
0.372
MAR-TRE-7f7bb9f0-55
0.358
MAR-TRE-3e4e6814-96
0.356
MAR-TRE-7f7bb9f0-11
0.352
MAR-TRE-9c797165-84
0.345
MAR-TRE-9c797165-33
0.344
MAR-TRE-d0525fbf-82
0.344
MAR-TRE-74c6519b-29
0.344
MAR-TRE-9c797165-77
0.341
MAR-TRE-9c797165-2
0.341
MAR-TRE-9c797165-44
0.337
MAR-TRE-9c797165-4
0.337
MAR-TRE-f6f5f473-90
0.333
MAR-TRE-f6f5f473-56
0.333
MAR-TRE-7f7bb9f0-67
0.330
MAR-TRE-7f7bb9f0-99
0.330
MAR-TRE-3e4e6814-58
0.330
MAR-TRE-74c6519b-52
0.330
MAR-TRE-74c6519b-46
0.330
MAR-TRE-4b834d9a-89
0.330
MAR-TRE-67513f76-44
0.330
MAR-TRE-3e4e6814-87
0.330
MAR-TRE-67513f76-35
0.327
MAR-TRE-74c6519b-50
0.326
MAR-TRE-67513f76-75
0.325
MAR-TRE-67513f76-31
0.323
MAR-TRE-3e4e6814-39
0.322
MAR-TRE-7f7bb9f0-63
0.319
MAR-TRE-2fd8122f-63
0.317
MAR-TRE-f6f5f473-73
0.316
MAR-TRE-f6f5f473-28
0.315
MAR-TRE-74c6519b-48
0.313
MAR-TRE-74c6519b-24
0.313
MAR-TRE-f6f5f473-77
0.312
MAR-TRE-7f7bb9f0-21
0.312
MAR-TRE-3e4e6814-23
0.309
MAR-TRE-f6f5f473-14
0.309
MAR-TRE-f6f5f473-97
0.308
MAR-TRE-74c6519b-12
0.307
MAR-TRE-b77b7921-72
0.307
MAR-TRE-f6f5f473-9
0.306
MAR-TRE-f6f5f473-74
0.302
MAR-TRE-67513f76-47
0.300
MAR-TRE-4b834d9a-65
0.300
MAR-TRE-f6f5f473-91
0.299
MAR-TRE-d0525fbf-30
0.297
MAR-TRE-4b834d9a-58
0.296
MAR-TRE-f6f5f473-69
0.296
MAR-TRE-f6f5f473-8
0.293
MAR-TRE-f6f5f473-39
0.292
MAR-TRE-04c86cea-84
0.289
MAR-TRE-04c86cea-38
0.287
MAR-TRE-04c86cea-78
0.286
MAR-TRE-4b834d9a-90
0.284
MAR-TRE-b77b7921-52
0.283
MAR-TRE-f6f5f473-37
0.281
MAR-TRE-7f7bb9f0-47
0.274
MAR-TRE-67513f76-74
0.273
MAR-TRE-9d18ae8c-76
0.273
MAR-TRE-f6f5f473-46
0.270
MAR-TRE-67513f76-90
0.269
MAR-TRE-d0525fbf-50
0.269
MAR-TRE-3e4e6814-74
0.267
MAR-TRE-74c6519b-69
0.266
MAR-TRE-7f7bb9f0-13
0.264
MAR-TRE-8190bb11-33
0.263
MAR-TRE-b77b7921-75
0.263
MAR-TRE-2fd8122f-30
0.262
MAR-TRE-67513f76-85
0.260
YOI-UNK-4c10088f-1
0.259
MAR-TRE-f6f5f473-81
0.258
MAR-TRE-4f781e27-7
0.258
MAR-TRE-04c86cea-19
0.258
KEI-TRE-d5e2018a-37
0.257
MAR-TRE-2fd8122f-49
0.257
MAR-TRE-4b834d9a-45
0.257
MAR-TRE-2fd8122f-91
0.257
MAR-TRE-7f7bb9f0-26
0.255
MAR-TRE-3e4e6814-22
0.252
MAR-TRE-4b834d9a-46
0.252
MAR-TRE-b77b7921-9
0.252
MAR-TRE-2fd8122f-54
0.250
MAR-TRE-b77b7921-15
0.250
NAU-LAT-64f4b287-10
0.250
MAR-TRE-74c6519b-90
0.248
MAR-TRE-d0525fbf-53
0.247
MAR-TRE-04c86cea-34
0.245
KEI-TRE-d5e2018a-6
0.245