Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C(c1ccsc1)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-902cc841-16
0.635
MAK-UNK-902cc841-17
0.494
MIH-UNI-6b9ca91a-2
0.385
BEN-DND-6de5dfa0-10
0.383
MAK-UNK-902cc841-15
0.382
MAK-UNK-7264f48c-1
0.356
MAK-UNK-7264f48c-2
0.355
PET-SGC-a8a902d9-1
0.351
MAK-UNK-902cc841-1
0.340
MAK-UNK-7264f48c-6
0.333
NAU-LAT-a5c7d7cb-3
0.333
VLA-UCB-05e51b3f-2
0.333
MAK-UNK-7264f48c-5
0.333
MAK-UNK-902cc841-4
0.330
MAK-UNK-902cc841-10
0.330
MAK-UNK-902cc841-14
0.323
MAK-UNK-7264f48c-4
0.323
NAU-LAT-3f5f3993-10
0.323
MAK-UNK-f2409524-18
0.323
EDJ-MED-3c65e9ce-1
0.318
BEN-DND-93268d01-8
0.318
MAK-UNK-902cc841-13
0.317
MAK-UNK-902cc841-6
0.317
MAK-UNK-7264f48c-3
0.316
MAK-UNK-212f693e-5
0.316
BEN-DND-6de5dfa0-19
0.314
MAK-UNK-902cc841-8
0.313
JOH-IMS-d6628593-4
0.307
BEN-DND-6de5dfa0-20
0.303
BEN-DND-6de5dfa0-21
0.303
MAK-UNK-4c6b313a-1
0.299
MAK-UNK-6435e6c2-11
0.299
MAK-UNK-6435e6c2-10
0.299
EDJ-MED-3c65e9ce-2
0.297
MAK-UNK-212f693e-1
0.295
MAK-UNK-6ca90168-19
0.293
MAK-UNK-902cc841-2
0.292
MAK-UNK-6435e6c2-8
0.292
AAR-POS-d2a4d1df-3
0.292
SAM-UNK-2684b532-5
0.290
ALE-HEI-f28a35b5-17
0.289
SCO-VAN-260d9628-1
0.289
EDJ-MED-3c65e9ce-3
0.287
MAK-UNK-f203cb68-10
0.284
NAU-LAT-3f5f3993-2
0.284
MAK-UNK-6435e6c2-3
0.282
MAT-POS-590ac91e-13
0.280
BEN-DND-6de5dfa0-6
0.280
MIH-UNI-6b9ca91a-1
0.279
BEN-DND-22e6b372-1
0.277
MAK-UNK-212f693e-14
0.275
DAR-DIA-0cde14eb-75
0.273
MIC-UNK-5a93dd5f-10
0.272
MIC-UNK-6ab519a7-1
0.272
NAU-LAT-a5c7d7cb-2
0.272
NIR-THE-590dedc7-1
0.272
MAT-POS-bb423b95-5
0.272
DAR-DIA-842b4336-1
0.272
DAR-DIA-0cde14eb-72
0.271
SAD-SAT-7d5528d9-2
0.270
BEN-DND-6de5dfa0-12
0.270
ASH-UNK-40b46b30-16
0.268
MAT-POS-590ac91e-7
0.267
BEN-DND-6de5dfa0-17
0.267
JAN-GHE-83b26c96-2
0.266
ANU-UNK-2781581f-2
0.265
MAK-UNK-f203cb68-2
0.263
BEN-DND-6de5dfa0-26
0.261
MAK-UNK-129dcd6f-6
0.261
BEN-DND-6de5dfa0-1
0.261
BEN-DND-03406596-7
0.261
BEN-DND-09b88bf4-2
0.261
MAK-UNK-f2409524-22
0.261
DAR-DIA-0cde14eb-70
0.260
MAK-UNK-e4a48a85-2
0.260
MAT-POS-590ac91e-1
0.259
ERI-UCB-5b47150d-1
0.259
MAT-POS-590ac91e-2
0.259
TRY-UNI-714a760b-16
0.258
SAM-UNK-2684b532-11
0.258
DAR-DIA-0cde14eb-73
0.258
ALE-MCD-4ac17b19-1
0.258
PET-SGC-a3e47117-1
0.257
NAU-LAT-a5c7d7cb-6
0.257
DAR-DIA-0cde14eb-65
0.255
BEN-DND-6de5dfa0-14
0.255
DAR-DIA-0cde14eb-71
0.255
DOU-UNK-b5326f8f-19
0.255
ERI-UCB-5b47150d-4
0.253
TRY-UNI-714a760b-17
0.253
AHN-SAT-202241f6-1
0.253
WIL-LEE-23e8b574-5
0.253
BEN-DND-93268d01-15
0.253
DAR-DIA-0cde14eb-67
0.253
BEN-DND-09b88bf4-8
0.253
NAU-LAT-3f5f3993-1
0.253
MAK-UNK-f203cb68-7
0.250
SAD-SAT-7d5528d9-35
0.250
SAD-SAT-89668ff1-3
0.250
MAK-UNK-902cc841-3
0.250