Molecular Properties | |
SMILES: | CC(C)(C)C(=O)NCCC(=O)Nc1ccc(N)nc1 |
MW: | 264.16 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1616658129 |
MolPort: | MolPort-045-075-897 |
aniline
Long aliphatic chain
MAR-TRE-67513f76-44
0.471
MAR-TRE-4b834d9a-89
0.471
MAR-TRE-3e4e6814-87
0.471
MAR-TRE-67513f76-99
0.470
MAR-TRE-67513f76-14
0.464
MAR-TRE-9c797165-33
0.459
MAR-TRE-3e4e6814-39
0.457
MAR-TRE-7f7bb9f0-99
0.444
MAR-TRE-74c6519b-46
0.444
MAR-TRE-9c797165-2
0.443
MAR-TRE-d0525fbf-82
0.440
MAR-TRE-7f7bb9f0-45
0.431
MAR-TRE-7f7bb9f0-20
0.414
MAR-TRE-7f7bb9f0-14
0.408
MAR-TRE-67513f76-47
0.389
MAR-TRE-67513f76-3
0.387
MAR-TRE-3e4e6814-58
0.387
MAR-TRE-74c6519b-53
0.387
MAR-TRE-74c6519b-12
0.386
MAR-TRE-f6f5f473-73
0.385
MAR-TRE-9c797165-4
0.378
MAR-TRE-04c86cea-44
0.378
MAR-TRE-04c86cea-38
0.378
MAR-TRE-b77b7921-63
0.377
MAR-TRE-d0525fbf-30
0.373
MAR-TRE-7f7bb9f0-63
0.372
MAR-TRE-04c86cea-62
0.369
MAR-TRE-74c6519b-52
0.368
MAR-TRE-3e4e6814-96
0.364
MAR-TRE-74c6519b-50
0.362
MAR-TRE-9c797165-84
0.351
MAR-TRE-7f7bb9f0-86
0.351
MAR-TRE-67513f76-75
0.348
MAR-TRE-9c797165-77
0.347
MAR-TRE-67513f76-35
0.345
MAR-TRE-9c797165-44
0.343
MAR-TRE-f6f5f473-56
0.338
MAR-TRE-74c6519b-29
0.333
MAR-TRE-7f7bb9f0-47
0.333
MAR-TRE-7f7bb9f0-67
0.333
MAR-TRE-f6f5f473-28
0.333
MAR-TRE-74c6519b-81
0.329
MAR-TRE-f6f5f473-69
0.325
MAR-TRE-74c6519b-69
0.325
MAR-TRE-f6f5f473-90
0.321
MAR-TRE-3e4e6814-59
0.321
MAR-TRE-4b834d9a-65
0.314
MAR-TRE-74c6519b-48
0.314
MAR-TRE-9c797165-57
0.313
MAR-TRE-f6f5f473-77
0.313
MAR-TRE-f6f5f473-91
0.313
MAR-TRE-3e4e6814-23
0.310
MAR-TRE-67513f76-31
0.310
MAR-TRE-7f7bb9f0-11
0.309
MAR-TRE-f6f5f473-97
0.308
MAR-TRE-4b834d9a-78
0.308
MAR-TRE-7f7bb9f0-82
0.306
MAR-TRE-f6f5f473-9
0.306
MAR-TRE-b77b7921-80
0.305
MAR-TRE-9c797165-48
0.305
MAR-TRE-f6f5f473-39
0.305
MAR-TRE-f6f5f473-74
0.301
MAR-TRE-74c6519b-24
0.299
MAR-TRE-7f7bb9f0-21
0.298
MAR-TRE-7f7bb9f0-81
0.298
MAR-TRE-04c86cea-78
0.298
MAR-TRE-9c797165-68
0.296
MAR-TRE-7f7bb9f0-15
0.292
MAR-TRE-f6f5f473-8
0.291
MAR-TRE-b77b7921-9
0.286
MAR-TRE-74c6519b-90
0.281
MAR-TRE-b77b7921-72
0.278
EDG-MED-0da5ad92-13
0.276
AAR-UNI-c25c2f1e-33
0.275
MAR-TRE-67513f76-24
0.274
MAR-TRE-67513f76-93
0.273
MAR-TRE-f6f5f473-14
0.270
MAR-TRE-4b834d9a-58
0.268
MAR-TRE-7f7bb9f0-38
0.267
GAB-REV-70cc3ca5-3
0.265
MAR-TRE-67513f76-48
0.264
MAR-TRE-d0525fbf-50
0.263
MAR-TRE-3e4e6814-31
0.261
MAR-TRE-e82e6c98-50
0.259
MAR-TRE-67513f76-60
0.259
MAR-TRE-7f7bb9f0-13
0.258
MAR-TRE-d0525fbf-99
0.258
MAK-UNK-72659d64-3
0.258
ALE-HEI-f28a35b5-14
0.257
MAR-TRE-74c6519b-67
0.255
MAR-TRE-74c6519b-82
0.255
MAR-TRE-04c86cea-84
0.253
MAR-TRE-74c6519b-85
0.253
YOI-UNK-4c10088f-1
0.250
MAR-TRE-9c797165-87
0.250
MAR-TRE-b77b7921-18
0.250
MAR-TRE-04c86cea-19
0.250
MAR-TRE-6a44bbf2-85
0.250
MAR-TRE-7f7bb9f0-37
0.247
MAR-TRE-f6f5f473-37
0.247