Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2cc(Cl)cc(Cl)c2)C2CCCCC2)CC1 |
MW: | 402.1 |
Fraction sp3: | 0.63 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 5.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
GIA-UNK-20b63697-6
0.651
GIA-UNK-20b63697-8
0.500
GIA-UNK-20b63697-2
0.466
GIA-UNK-20b63697-4
0.466
GIA-UNK-20b63697-3
0.466
GIA-UNK-20b63697-5
0.466
GIA-UNK-4de5abb1-1
0.444
GIA-UNK-4de5abb1-4
0.434
GIA-UNK-4de5abb1-5
0.416
PAU-UNI-8cdd41c7-1
0.409
GIA-UNK-20b63697-9
0.400
MED-COV-4280ac29-6
0.400
GIA-UNK-4de5abb1-2
0.395
SAD-SAT-bc31ec01-5
0.371
GIA-UNK-7337c2f3-2
0.364
DAR-DIA-3e9bbd81-12
0.364
SAD-SAT-581007d4-1
0.361
MED-COV-4280ac29-18
0.359
NIR-THE-0d6461ce-9
0.355
DRR-IMP-11d47bff-1
0.353
MED-COV-4280ac29-7
0.350
PAU-WEI-3e86dfd8-2
0.349
SIM-SYN-f15aaa3a-1
0.348
SAD-SAT-581007d4-7
0.342
SAD-SAT-581007d4-2
0.342
MAT-POS-2db6411e-2
0.342
GIA-UNK-7337c2f3-1
0.342
MIH-UNI-e573136b-7
0.341
VIK-SYN-9a3d118a-1
0.338
GIA-UNK-20b63697-7
0.338
SEL-UNI-cd366922-5
0.338
SEA-TRI-8222e606-1
0.337
GIA-UNK-c4371e97-1
0.333
MAK-UNK-7c9d1431-29
0.333
GIA-UNK-a79af1bc-1
0.333
GIA-UNK-7337c2f3-3
0.333
SAD-SAT-1b030f84-9
0.333
SEA-TRI-2c7f3de8-1
0.329
PAU-WEI-b9b69149-1
0.329
PAU-UNI-19862c28-1
0.329
DAR-DIA-fb20be43-8
0.329
MAK-UNK-af83ef51-2
0.329
JOH-UNI-0e1753c1-3
0.329
MED-COV-4280ac29-15
0.329
SAD-SAT-581007d4-5
0.329
HYO-UNK-49a60884-1
0.329
AAR-POS-d2a4d1df-35
0.329
GIA-UNK-7337c2f3-5
0.325
GIA-UNK-7337c2f3-9
0.325
NIR-THE-0d6461ce-8
0.325
GIA-UNK-20b63697-1
0.325
MAR-TRE-6a44bbf2-92
0.324
MAK-UNK-5d2caa6f-4
0.321
GIA-UNK-7337c2f3-4
0.321
SAD-SAT-65574d3f-9
0.319
PAU-WEI-3e86dfd8-1
0.319
PAU-WEI-b9b69149-3
0.318
DAR-DIA-fb20be43-2
0.317
MED-COV-4280ac29-33
0.316
HYO-UNK-1819783d-1
0.316
GIA-UNK-7337c2f3-6
0.316
GIA-UNK-7337c2f3-10
0.316
SAD-SAT-581007d4-3
0.316
MAR-TRE-6a44bbf2-77
0.316
LON-WEI-120e5cf5-20
0.316
MAK-UNK-6ca90168-11
0.315
MAK-UNK-6ca90168-15
0.315
DRR-IMP-db50bf6e-3
0.314
SAD-SAT-5b1897b2-9
0.312
SEL-UNI-cd366922-2
0.312
MAK-UNK-7c9d1431-10
0.312
SAD-SAT-3a925b8b-9
0.311
DRR-IMP-38dce17f-6
0.310
GIA-UNK-7337c2f3-8
0.309
PAU-WEI-b9b69149-2
0.308
SAD-SAT-581007d4-6
0.308
SAD-SAT-5b1897b2-8
0.307
SEL-UNI-cd366922-9
0.306
GIA-UNK-7337c2f3-15
0.306
NIM-UNI-310206f0-29
0.306
SAD-SAT-1b030f84-5
0.306
JOH-UNI-27ac80fd-25
0.306
SAD-SAT-d8079f6f-3
0.305
SAD-SAT-d8079f6f-5
0.305
MED-COV-4280ac29-23
0.305
DAR-DIA-3e9bbd81-15
0.304
GIA-UNK-7337c2f3-7
0.304
NIR-THE-0d6461ce-1
0.304
MAK-UNK-704ed37c-13
0.303
KAI-MCD-cb49037b-1
0.303
DRR-IMP-38dce17f-2
0.303
MAK-UNK-212f693e-13
0.303
KAT-UNK-c8a6cb16-1
0.301
DRR-IMP-dff87f5e-4
0.301
DRR-IMP-38dce17f-1
0.301
HYO-UNK-50298ba0-1
0.301
AAR-POS-0daf6b7e-21
0.300
MIH-UNI-e573136b-6
0.300
DRR-IMP-38dce17f-3
0.300
MAK-UNK-7c9d1431-24
0.300