Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)Nc2cc[nH]c(=O)c2)c2cccc(Cl)c2)CC1 |
MW: | 388.13 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 85.51 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-a5c7d7cb-3
0.560
VLA-UCB-05e51b3f-2
0.560
MIC-UNK-5a93dd5f-10
0.523
NIR-THE-590dedc7-1
0.523
MIC-UNK-6ab519a7-1
0.523
NAU-LAT-a5c7d7cb-2
0.523
MAK-UNK-902cc841-4
0.402
MIC-UNK-5a93dd5f-4
0.379
MIC-UNK-5a93dd5f-6
0.379
MIC-UNK-5a93dd5f-8
0.376
MAK-UNK-902cc841-3
0.357
MIC-UNK-5a93dd5f-5
0.355
MIC-UNK-5a93dd5f-2
0.353
MIC-UNK-5a93dd5f-1
0.353
MIC-UNK-5a93dd5f-9
0.352
MIC-UNK-5a93dd5f-3
0.352
MIC-UNK-5a93dd5f-7
0.352
MIC-UNK-5a93dd5f-11
0.346
MIC-UNK-5a93dd5f-12
0.333
MED-COV-4280ac29-6
0.325
MAK-UNK-902cc841-17
0.323
WIL-LEE-1f71e281-4
0.322
EDG-MED-0da5ad92-5
0.319
MIC-UNK-d36ab305-1
0.308
BEN-DND-b89db3f2-2
0.306
NAU-LAT-b7d8c353-4
0.306
MED-COV-4280ac29-7
0.304
JAN-GHE-d851b096-2
0.302
SAM-UNK-2684b532-1
0.302
MAT-POS-8fd29122-2
0.300
DAR-DIA-3e9bbd81-12
0.300
GIA-UNK-7337c2f3-2
0.300
MAK-UNK-902cc841-15
0.299
BEN-DND-b89db3f2-3
0.297
MED-COV-4280ac29-18
0.297
AAR-POS-0daf6b7e-10
0.296
RIT-AID-d1f3f5d2-1
0.294
PAU-WEI-b9b69149-3
0.293
MAK-UNK-902cc841-8
0.291
TRY-UNI-9f475305-11
0.290
JAN-GHE-83b26c96-3
0.290
PAU-WEI-b9b69149-1
0.289
SEA-TRI-2c7f3de8-1
0.289
ADA-UNI-f8e79267-11
0.289
MAT-POS-450cb4f9-2
0.287
JAN-GHE-83b26c96-2
0.284
ADA-UNI-f8e79267-10
0.283
VLA-UNK-9a7dc93f-7
0.283
LUI-IND-a1be81af-2
0.283
SAM-UNK-2684b532-7
0.283
JOH-IMS-1436231f-5
0.282
DAR-DIA-3e9bbd81-15
0.282
SAM-UNK-2684b532-5
0.281
SEA-TRI-8222e606-1
0.281
DAV-CRI-3edb475e-4
0.280
MIC-UNK-d36ab305-4
0.280
MAK-UNK-f203cb68-3
0.280
TRY-UNI-714a760b-18
0.280
TRY-UNI-2eddb1ff-5
0.280
TRY-UNI-2eddb1ff-4
0.280
JAN-GHE-83b26c96-4
0.280
JAN-GHE-83b26c96-5
0.280
JOH-IMS-1436231f-1
0.279
PAU-WEI-3e86dfd8-2
0.278
JAN-GHE-83b26c96-1
0.277
JAN-GHE-83b26c96-9
0.277
JAN-GHE-83b26c96-8
0.276
EDJ-MED-cf4b0d25-4
0.275
ADA-UNI-f8e79267-8
0.275
PET-UNK-ac320b15-4
0.274
PET-UNK-ac320b15-3
0.274
JAN-GHE-83b26c96-7
0.274
WIL-LEE-23e8b574-5
0.273
ADA-UNI-f8e79267-7
0.272
PAU-WEI-b9b69149-2
0.272
MAK-UNK-902cc841-7
0.272
JAN-GHE-83b26c96-10
0.271
KIM-UNI-7d12df64-3
0.270
NAU-LAT-a5c7d7cb-5
0.269
MIC-UNK-cdc2493e-17
0.269
MAK-UNK-f203cb68-12
0.269
BRU-CON-67e07230-1
0.268
MAT-POS-1e5f28a7-1
0.268
SAM-UNK-2684b532-6
0.268
SAD-SAT-c989feaa-3
0.268
DAR-DIA-5d6f1b43-20
0.268
MAK-UNK-f203cb68-2
0.267
WIL-LEE-23e8b574-8
0.266
MAK-UNK-902cc841-16
0.265
MAK-UNK-f203cb68-1
0.264
BEN-DND-6de5dfa0-10
0.264
JOH-UNI-0e1753c1-1
0.264
MED-COV-4280ac29-34
0.264
KEI-TRE-d5e2018a-19
0.263
MAK-UNK-f203cb68-19
0.262
JOH-UNI-23d9e1b1-1
0.261
MIC-UNK-cdc2493e-18
0.261
KIM-UNI-7d12df64-1
0.261
PET-UNK-1320d94d-8
0.261
PET-UNK-1320d94d-7
0.261