Molecular Properties | |
SMILES: | CC(C)C[C@@H]1CN(C(=O)CCl)CCN1C(=O)c1cccc(Cl)c1 |
MW: | 356.11 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 40.62 |
cLogP: | 3.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-3
0.506
JOH-UNI-0e1753c1-5
0.506
MAK-UNK-6ca90168-15
0.500
SAD-SAT-c989feaa-4
0.412
SAD-SAT-c989feaa-8
0.412
SAD-SAT-c989feaa-1
0.407
SAD-SAT-c989feaa-2
0.404
HYO-UNK-1dbfcf16-1
0.404
SAD-SAT-c989feaa-9
0.400
MED-COV-4280ac29-14
0.397
SAD-SAT-c989feaa-5
0.388
DAN-LON-a5fc619e-4
0.386
SAD-SAT-c989feaa-6
0.384
DAN-LON-a5fc619e-1
0.383
JOH-UNI-0e1753c1-4
0.379
MED-COV-4280ac29-38
0.369
SAD-SAT-65574d3f-9
0.365
SAD-SAT-c989feaa-3
0.360
DAN-LON-a5fc619e-7
0.360
MED-COV-4280ac29-6
0.351
SAD-SAT-1b030f84-6
0.349
DAN-LON-a5fc619e-9
0.348
DAN-LON-a5fc619e-6
0.348
DAN-PUR-3907f623-1
0.347
MAK-UNK-ec98eaf6-45
0.344
AAR-POS-d2a4d1df-35
0.338
JOH-UNI-0e1753c1-3
0.338
HYO-UNK-49a60884-1
0.338
MED-COV-4280ac29-15
0.338
MED-COV-4280ac29-13
0.337
DAN-LON-a5fc619e-2
0.333
MED-COV-4280ac29-12
0.333
MED-COV-4280ac29-18
0.333
THO-SYG-f9b2970d-4
0.330
THO-SYG-f9b2970d-2
0.330
MED-COV-4280ac29-7
0.326
DAR-DIA-3e9bbd81-12
0.321
GIA-UNK-7337c2f3-2
0.321
DRR-IMP-dff87f5e-8
0.321
AVI-UNI-70b60925-1
0.320
STU-CHA-0be58c98-1
0.319
MED-COV-4280ac29-29
0.317
DAN-LON-a5fc619e-10
0.315
PAU-WEI-b9b69149-3
0.312
MAK-UNK-987948f6-2
0.311
SAL-INS-1ea6d4ee-4
0.309
PAU-WEI-b9b69149-1
0.308
SEA-TRI-2c7f3de8-1
0.308
ASH-SAT-43770c7d-10
0.308
SEL-UNI-cd366922-1
0.307
DRR-IMP-db50bf6e-3
0.307
SAL-INS-1ea6d4ee-3
0.306
PAT-MCD-fb0933e5-1
0.306
MED-COV-4280ac29-11
0.306
SAD-SAT-581007d4-5
0.304
NAU-LAT-e1818702-11
0.303
GIA-UNK-c4371e97-3
0.303
SAD-SAT-581007d4-6
0.301
MED-COV-4280ac29-2
0.301
SEA-TRI-8222e606-1
0.300
MAK-UNK-10799360-36
0.299
MAK-UNK-ec98eaf6-18
0.297
PAU-WEI-3e86dfd8-2
0.297
HAN-NEW-5f56c3bc-4
0.296
DAR-DIA-1a77c53a-10
0.295
DAR-DIA-1a77c53a-11
0.295
DAN-LON-a5fc619e-8
0.294
HYO-UNK-1819783d-1
0.294
SEA-TRI-fac72a44-1
0.294
SAD-SAT-c989feaa-7
0.293
DAN-LON-a5fc619e-5
0.293
SAD-SAT-bc31ec01-6
0.292
MAK-UNK-ec98eaf6-6
0.290
CAR-INS-33b3c115-2
0.290
DRR-IMP-db50bf6e-2
0.289
SAD-SAT-b55127ae-1
0.289
MAK-UNK-af83ef51-2
0.289
MAK-UNK-ec98eaf6-44
0.289
PAU-WEI-b9b69149-2
0.289
JOH-UNI-0e1753c1-2
0.287
IAN-BAS-d38e7e67-1
0.287
AHN-SAT-de2502ba-8
0.286
AAR-POS-d2a4d1df-25
0.286
GIA-UNK-7337c2f3-1
0.286
PAU-UNI-8cdd41c7-1
0.286
DAR-DIA-3e9bbd81-15
0.286
MAK-UNK-ec98eaf6-13
0.284
SAD-SAT-581007d4-2
0.284
MAT-POS-7174c657-3
0.283
DUN-NEW-f8ce3686-22
0.282
JOH-UNI-0e1753c1-1
0.282
MAK-UNK-ec98eaf6-1
0.281
MAK-UNK-ec98eaf6-4
0.281
LON-WEI-120e5cf5-19
0.281
HYO-UNK-50298ba0-1
0.281
JOH-UNI-23d9e1b1-1
0.280
MAK-UNK-6ca90168-13
0.280
SAD-SAT-29425be4-7
0.280
AHN-SAT-721e3e40-1
0.280
MAR-TRE-6a44bbf2-65
0.279