Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)C2CCOCC2)cn1 |
MW: | 221.12 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.24 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7348010087 |
MolPort: | MolPort-011-114-050 |
aniline
MAR-TRE-9c797165-44
0.542
MAR-TRE-9c797165-77
0.516
MAR-TRE-7f7bb9f0-86
0.492
MAR-TRE-f6f5f473-56
0.449
MAR-TRE-9c797165-84
0.448
MAR-TRE-7f7bb9f0-67
0.438
MAR-TRE-f6f5f473-74
0.438
MAR-TRE-3e4e6814-96
0.437
MAR-TRE-9c797165-4
0.435
MAR-TRE-7f7bb9f0-21
0.432
MAR-TRE-7f7bb9f0-13
0.425
MAR-TRE-3e4e6814-58
0.423
MAR-TRE-f6f5f473-9
0.421
MAR-TRE-f6f5f473-77
0.413
MAR-TRE-67513f76-3
0.403
MAR-TRE-67513f76-14
0.400
MAR-TRE-4b834d9a-56
0.400
MAR-TRE-74c6519b-29
0.397
MAR-TRE-74c6519b-50
0.395
MAR-TRE-04c86cea-78
0.395
MAR-TRE-4b834d9a-65
0.392
MAR-TRE-74c6519b-24
0.392
MAR-TRE-7f7bb9f0-11
0.392
MAR-TRE-67513f76-31
0.390
MAR-TRE-3e4e6814-23
0.390
MAR-TRE-7f7bb9f0-14
0.387
MAR-TRE-f6f5f473-28
0.386
MAR-TRE-b77b7921-72
0.383
MAR-TRE-4b834d9a-58
0.379
MAR-TRE-4b834d9a-100
0.370
MAR-TRE-4b834d9a-89
0.366
MAR-TRE-f6f5f473-81
0.366
MAR-TRE-67513f76-99
0.362
MAR-TRE-9c797165-2
0.361
MAR-TRE-4b834d9a-48
0.361
MAR-TRE-d0525fbf-50
0.360
MAR-TRE-f6f5f473-97
0.356
MAR-TRE-d0525fbf-53
0.352
MAR-TRE-04c86cea-48
0.352
MAR-TRE-7f7bb9f0-26
0.350
MAR-TRE-f6f5f473-8
0.350
MAR-TRE-9c797165-70
0.348
MAR-TRE-67513f76-44
0.347
LON-WEI-120e5cf5-1
0.347
LON-WEI-120e5cf5-17
0.347
AAR-POS-5507155c-2
0.347
MAR-TRE-9c797165-58
0.347
AAR-POS-f650c5f2-4
0.347
MAR-TRE-d0525fbf-63
0.342
MAR-TRE-f6f5f473-69
0.338
MAR-TRE-d0525fbf-30
0.337
MAR-TRE-7f7bb9f0-20
0.333
MAR-TRE-7f7bb9f0-45
0.333
MAR-TRE-7f7bb9f0-63
0.333
MAR-TRE-f6f5f473-90
0.333
MAR-TRE-9c797165-33
0.329
MAR-TRE-7f7bb9f0-47
0.329
MAR-TRE-74c6519b-46
0.329
MAR-TRE-7f7bb9f0-99
0.329
MAR-TRE-74c6519b-53
0.329
MAR-TRE-04c86cea-85
0.329
MAR-TRE-67513f76-47
0.329
MAR-TRE-3e4e6814-87
0.329
MAR-TRE-74c6519b-48
0.325
MAR-TRE-04c86cea-44
0.325
MAR-TRE-f6f5f473-91
0.325
MAR-TRE-b77b7921-63
0.321
MAR-TRE-3e4e6814-39
0.320
MAR-TRE-9c797165-69
0.319
MAR-TRE-f6f5f473-14
0.319
MAR-TRE-04c86cea-62
0.318
MAR-TRE-f6f5f473-39
0.316
MAR-TRE-f6f5f473-87
0.313
MAR-TRE-d0525fbf-82
0.312
MAR-TRE-74c6519b-52
0.312
MAR-TRE-67513f76-35
0.310
MAR-TRE-67513f76-17
0.303
MAR-TRE-9c797165-86
0.303
MAR-TRE-f6f5f473-63
0.303
MAR-TRE-d0525fbf-90
0.303
MAR-TRE-74c6519b-12
0.302
MAR-TRE-67513f76-60
0.300
MAR-TRE-9c797165-28
0.299
MAR-TRE-2fd8122f-18
0.299
AAR-POS-0daf6b7e-41
0.299
MAR-TRE-04c86cea-84
0.297
MAR-TRE-67513f76-89
0.296
MAR-TRE-f6f5f473-73
0.296
PHI-UNK-c3ab17cb-1
0.295
MAR-TRE-04c86cea-38
0.294
LON-WEI-120e5cf5-11
0.293
JAG-SYN-9c2cd0bd-7
0.292
MAR-TRE-04c86cea-19
0.291
MAR-TRE-f6f5f473-80
0.291
ROM-UNK-ef52a3c9-3
0.291
MAR-TRE-67513f76-80
0.287
PHI-UNK-c3ab17cb-2
0.284
MAR-TRE-67513f76-96
0.284
MAR-TRE-2fd8122f-33
0.283
MAR-TRE-4b834d9a-64
0.282