Molecular Properties | |
SMILES: | Nc1ccccc1CCC(=O)Nc1ccc(NC(=O)C2CC2)nc1 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 97.11 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5632682883 |
MolPort: | MolPort-045-586-278 |
aniline
aniline
analine
MAR-TRE-04c86cea-19
0.506
MAR-TRE-b77b7921-9
0.506
MAR-TRE-04c86cea-84
0.486
MAR-TRE-f6f5f473-80
0.468
MAR-TRE-f6f5f473-37
0.444
MAR-TRE-f6f5f473-81
0.442
MAR-TRE-4b834d9a-56
0.438
MAR-TRE-b77b7921-75
0.434
MAR-TRE-f6f5f473-63
0.430
MAR-TRE-04c86cea-85
0.423
MAR-TRE-d0525fbf-53
0.410
MAR-TRE-04c86cea-48
0.410
MAR-TRE-4b834d9a-48
0.400
MAR-TRE-4b834d9a-100
0.390
MAR-TRE-d0525fbf-63
0.381
MAR-TRE-f6f5f473-87
0.367
MAR-TRE-04c86cea-31
0.363
MAR-TRE-67513f76-14
0.349
MAR-TRE-4b834d9a-78
0.329
MAR-TRE-3e4e6814-39
0.329
MAR-TRE-7f7bb9f0-45
0.326
MAR-TRE-67513f76-44
0.321
MAR-TRE-4b834d9a-89
0.321
MAR-TRE-3e4e6814-87
0.321
MAR-TRE-67513f76-99
0.317
MAR-TRE-67513f76-75
0.316
MAR-TRE-74c6519b-12
0.312
MAR-TRE-7f7bb9f0-14
0.311
MAR-TRE-f6f5f473-73
0.308
MAR-TRE-7f7bb9f0-99
0.307
MAR-TRE-74c6519b-46
0.307
MAR-TRE-9c797165-70
0.305
MAR-TRE-9c797165-2
0.302
MAR-TRE-3e4e6814-31
0.298
JOH-UNI-abfda500-6
0.298
ANN-UNI-98d2bf15-1
0.298
MAR-TRE-67513f76-24
0.297
MAR-TRE-9c797165-44
0.296
MAK-UNK-c97f7c8f-1
0.294
MAR-TRE-d0525fbf-82
0.293
MAR-TRE-67513f76-3
0.292
MAR-TRE-3e4e6814-58
0.292
MAR-TRE-74c6519b-53
0.292
MAR-TRE-74c6519b-24
0.292
MAR-TRE-04c86cea-44
0.292
MAR-TRE-7f7bb9f0-86
0.291
MAR-TRE-d0525fbf-30
0.289
MAK-UNK-c97f7c8f-2
0.287
ALE-HEI-f28a35b5-14
0.286
EDG-MED-0da5ad92-13
0.286
MAR-TRE-b77b7921-63
0.286
MAR-TRE-04c86cea-62
0.286
MAR-TRE-9c797165-4
0.284
MAR-TRE-74c6519b-69
0.284
LIL-FNM-e1865f24-1
0.279
MAR-TRE-7f7bb9f0-20
0.279
LON-WEI-120e5cf5-1
0.278
LON-WEI-120e5cf5-17
0.278
AAR-POS-f650c5f2-4
0.278
AAR-POS-5507155c-2
0.278
MAR-TRE-74c6519b-52
0.278
MAR-TRE-7f7bb9f0-54
0.278
MAR-TRE-74c6519b-50
0.277
MAR-TRE-3e4e6814-96
0.275
MAR-TRE-04c86cea-79
0.274
MAR-TRE-f6f5f473-76
0.273
MAR-TRE-b77b7921-18
0.271
MAR-TRE-7f7bb9f0-26
0.271
MAR-TRE-9c797165-77
0.271
MAR-TRE-9c797165-12
0.269
MAR-TRE-74c6519b-29
0.268
MAR-TRE-d0525fbf-99
0.267
MAR-TRE-4b834d9a-64
0.267
MAR-TRE-74c6519b-91
0.267
MAR-TRE-7f7bb9f0-67
0.266
MAR-TRE-f6f5f473-74
0.266
MAR-TRE-04c86cea-38
0.265
MAR-TRE-4b834d9a-58
0.264
MAR-TRE-67513f76-85
0.264
MAR-TRE-f6f5f473-77
0.263
MAR-TRE-f6f5f473-4
0.263
MAR-TRE-74c6519b-90
0.263
MAR-TRE-9c797165-84
0.261
MAR-TRE-3e4e6814-23
0.260
MAR-TRE-3e4e6814-9
0.259
MAK-UNK-30aad1f1-17
0.258
MAR-TRE-3e4e6814-50
0.258
MAR-TRE-7f7bb9f0-82
0.258
MAR-TRE-9d18ae8c-69
0.256
BEN-DND-93268d01-7
0.256
MAR-TRE-7f7bb9f0-63
0.255
MAR-TRE-67513f76-60
0.255
MAR-TRE-9c797165-48
0.255
MAR-TRE-67513f76-97
0.255
NAU-LAT-64f4b287-10
0.253
MAR-TRE-9c797165-33
0.253
MAR-TRE-3e4e6814-54
0.253
MAR-TRE-74c6519b-48
0.253
MAR-TRE-b77b7921-15
0.252
MAR-TRE-2fd8122f-80
0.250