Molecular Properties | |
SMILES: | C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(N)nc1)C2=O |
MW: | 331.16 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 117.42 |
cLogP: | 1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
aniline
MAR-TRE-74c6519b-53
0.618
MAR-TRE-b77b7921-63
0.603
MAR-TRE-04c86cea-44
0.571
MAR-TRE-67513f76-3
0.464
MAR-TRE-7f7bb9f0-20
0.439
MAR-TRE-67513f76-99
0.415
MAR-TRE-b77b7921-91
0.414
MAR-TRE-7f7bb9f0-45
0.402
MAR-TRE-67513f76-14
0.395
MAR-TRE-7f7bb9f0-14
0.385
MAR-TRE-9c797165-70
0.369
MAR-TRE-9c797165-2
0.364
MAR-TRE-9c797165-44
0.361
MAR-TRE-f6f5f473-90
0.354
MAR-TRE-67513f76-44
0.352
MAR-TRE-7f7bb9f0-86
0.352
MAR-TRE-f6f5f473-28
0.352
MAR-TRE-3e4e6814-96
0.348
MAR-TRE-74c6519b-48
0.347
MAR-TRE-9c797165-84
0.337
MAR-TRE-4b834d9a-89
0.337
MAR-TRE-9c797165-33
0.337
MAR-TRE-9c797165-77
0.333
MAR-TRE-f6f5f473-69
0.330
MAR-TRE-f6f5f473-56
0.326
MAR-TRE-2fd8122f-63
0.324
MAR-TRE-74c6519b-29
0.323
MAR-TRE-d0525fbf-82
0.323
MAR-TRE-f6f5f473-74
0.323
MAR-TRE-74c6519b-46
0.323
MAR-TRE-3e4e6814-87
0.322
MAR-TRE-67513f76-35
0.320
MAR-TRE-7f7bb9f0-21
0.320
MAR-TRE-f6f5f473-77
0.320
MAR-TRE-f6f5f473-91
0.320
MAR-TRE-67513f76-75
0.318
MAR-TRE-67513f76-31
0.316
MAR-TRE-b77b7921-52
0.316
MAR-TRE-7f7bb9f0-11
0.316
MAR-TRE-f6f5f473-14
0.315
MAR-TRE-f6f5f473-97
0.315
MAR-TRE-9c797165-4
0.315
MAR-TRE-3e4e6814-39
0.315
MAR-TRE-f6f5f473-30
0.314
MAR-TRE-f6f5f473-9
0.313
MAR-TRE-7f7bb9f0-63
0.312
MAR-TRE-7f7bb9f0-67
0.309
MAR-TRE-7f7bb9f0-99
0.309
MAR-TRE-3e4e6814-58
0.309
MAR-TRE-74c6519b-50
0.306
MAR-TRE-d0525fbf-30
0.304
MAR-TRE-f6f5f473-37
0.302
MAR-TRE-74c6519b-12
0.301
MAR-TRE-b77b7921-72
0.301
MAR-TRE-f6f5f473-73
0.296
MAR-TRE-74c6519b-24
0.294
MAR-TRE-04c86cea-38
0.294
MAR-TRE-67513f76-47
0.293
MAR-TRE-4b834d9a-58
0.291
MAR-TRE-2fd8122f-49
0.290
MAR-TRE-3e4e6814-23
0.290
MAR-TRE-f6f5f473-8
0.287
MAR-TRE-f6f5f473-39
0.286
MAR-TRE-7f7bb9f0-55
0.284
MAR-TRE-7f7bb9f0-13
0.283
MAR-TRE-04c86cea-84
0.283
MAR-TRE-4b834d9a-65
0.282
MAR-TRE-74c6519b-52
0.281
MAR-TRE-04c86cea-78
0.280
MAR-TRE-67513f76-90
0.277
MAR-TRE-74c6519b-69
0.274
MAR-TRE-2fd8122f-54
0.270
MAR-TRE-f6f5f473-81
0.266
MAR-TRE-04c86cea-85
0.266
MAR-TRE-04c86cea-19
0.265
MAR-TRE-f6f5f473-46
0.265
MAR-TRE-4b834d9a-45
0.265
MAR-TRE-2fd8122f-91
0.265
KEI-TRE-d5e2018a-37
0.265
MAR-TRE-d0525fbf-50
0.264
MAR-TRE-7f7bb9f0-26
0.262
MAR-TRE-b77b7921-30
0.262
BEN-DND-362d364a-10
0.262
MAR-TRE-3e4e6814-74
0.262
MAT-POS-590ac91e-25
0.260
MAR-TRE-b77b7921-9
0.259
NAU-LAT-64f4b287-10
0.258
MAR-TRE-b77b7921-75
0.257
MAR-TRE-2fd8122f-30
0.257
MAR-TRE-f6f5f473-67
0.257
MAR-TRE-d0525fbf-53
0.255
MAR-TRE-04c86cea-48
0.255
MAR-TRE-67513f76-85
0.255
MAR-TRE-7f7bb9f0-47
0.255
MAR-TRE-74c6519b-90
0.255
MAR-TRE-2fd8122f-43
0.252
MAR-TRE-67513f76-12
0.252
MAR-TRE-04c86cea-34
0.252
MAR-TRE-f6f5f473-76
0.252
MAR-TRE-7f7bb9f0-37
0.250