Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C(c1cccs1)N1CCN(C(C)=O)CC1 |
MW: | 358.467 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 2.355 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-902cc841-18
0.635
MAK-UNK-902cc841-15
0.500
BEN-DND-6de5dfa0-10
0.397
MAK-UNK-902cc841-17
0.375
NAU-LAT-a5c7d7cb-3
0.344
VLA-UCB-05e51b3f-2
0.344
MAK-UNK-902cc841-3
0.337
NAU-LAT-3f5f3993-10
0.333
MAK-UNK-902cc841-2
0.330
BEN-DND-93268d01-8
0.329
EDJ-MED-3c65e9ce-1
0.329
DAN-RED-da448e80-17
0.326
BEN-DND-6de5dfa0-19
0.325
MAK-UNK-7264f48c-1
0.322
MAK-UNK-f2409524-18
0.319
JOH-IMS-d6628593-4
0.318
BEN-DND-6de5dfa0-21
0.314
BEN-DND-6de5dfa0-20
0.314
EDJ-MED-3c65e9ce-3
0.311
MAK-UNK-7264f48c-2
0.309
EDJ-MED-3c65e9ce-2
0.307
MAK-UNK-902cc841-9
0.305
MAK-UNK-6435e6c2-8
0.304
AAR-POS-d2a4d1df-3
0.304
MAK-UNK-902cc841-12
0.302
MAK-UNK-902cc841-7
0.302
ANU-UNK-2781581f-2
0.301
SCO-VAN-260d9628-1
0.300
ALE-HEI-f28a35b5-17
0.300
MAK-UNK-902cc841-11
0.296
MAK-UNK-b1d4dcd7-6
0.296
NAU-LAT-3f5f3993-2
0.294
MAK-UNK-f203cb68-10
0.293
MAK-UNK-902cc841-5
0.290
MAK-UNK-6435e6c2-2
0.289
BEN-DND-6de5dfa0-6
0.289
MAK-UNK-7264f48c-6
0.289
MAK-UNK-7264f48c-5
0.287
MAK-UNK-129dcd6f-6
0.286
MAK-UNK-6435e6c2-1
0.286
SAM-UNK-2684b532-5
0.286
BEN-DND-22e6b372-1
0.286
DOU-UNK-b5326f8f-4
0.282
MAK-UNK-902cc841-1
0.281
MIH-UNI-6b9ca91a-2
0.281
MAT-POS-bb423b95-5
0.281
SAM-UNK-2684b532-11
0.281
MIC-UNK-5a93dd5f-10
0.280
NAU-LAT-a5c7d7cb-2
0.280
MIC-UNK-6ab519a7-1
0.280
NIR-THE-590dedc7-1
0.280
ALE-MCD-4ac17b19-1
0.280
ERI-UCB-5b47150d-4
0.278
BEN-DND-6de5dfa0-12
0.278
SAD-SAT-7d5528d9-2
0.278
MAK-UNK-7264f48c-4
0.278
DAN-RED-da448e80-18
0.276
MAT-POS-590ac91e-13
0.275
MAR-TRE-67513f76-79
0.275
NAU-LAT-3f5f3993-1
0.274
MAK-UNK-7264f48c-3
0.273
BEN-DND-6de5dfa0-26
0.271
DAR-DIA-03336633-11
0.270
SAD-SAT-7d5528d9-35
0.270
BEN-DND-09b88bf4-2
0.270
BEN-DND-03406596-7
0.270
BEN-DND-6de5dfa0-1
0.270
MAK-UNK-f2409524-22
0.270
ERI-UCB-5b47150d-1
0.269
MAT-POS-590ac91e-1
0.269
MAT-POS-590ac91e-2
0.269
MAK-UNK-129dcd6f-5
0.269
MAK-UNK-129dcd6f-8
0.269
DAR-DIA-0cde14eb-75
0.268
MAK-UNK-f2409524-31
0.267
DAN-RED-da448e80-19
0.267
DAR-DIA-03336633-8
0.267
DAN-RED-da448e80-20
0.267
DAR-DIA-0cde14eb-72
0.266
NAU-LAT-a5c7d7cb-6
0.265
NIR-THE-d08c3b48-1
0.264
VLA-UCB-05e51b3f-1
0.264
BEN-DND-6de5dfa0-11
0.264
NAU-LAT-a5c7d7cb-1
0.264
DAR-DIA-0cde14eb-65
0.264
BEN-DND-6de5dfa0-14
0.264
ALP-POS-6747fa38-1
0.264
PAU-WEI-f734c343-1
0.264
SAD-SAT-7d5528d9-6
0.263
MAK-UNK-f2409524-23
0.262
MAT-POS-590ac91e-7
0.262
WIL-LEE-23e8b574-5
0.262
BEN-DND-6de5dfa0-17
0.261
BEN-DND-6de5dfa0-27
0.261
MAK-UNK-129dcd6f-3
0.261
JAN-GHE-83b26c96-2
0.261
MAK-UNK-f203cb68-5
0.260
MAK-UNK-212f693e-5
0.260
BEN-DND-09b88bf4-5
0.259
BEN-DND-93268d01-9
0.259