Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(CCCc2ccccc2)CC1 |
MW: | 280.13 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 2.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-3732589892 |
AAR-POS-d2a4d1df-24
MAK-UNK-7c9d1431-24
0.585
DRR-IMP-38dce17f-3
0.585
MAK-UNK-af83ef51-2
0.492
STE-KUL-2e0d2e88-1
0.484
MAK-UNK-10dfa458-39
0.477
MAR-TRE-0fda4e82-52
0.476
SAD-SAT-65574d3f-1
0.468
AHN-SAT-de2502ba-14
0.468
AHN-SAT-de2502ba-1
0.456
MAR-TRE-6a44bbf2-9
0.448
MAK-UNK-7c9d1431-23
0.444
AAR-POS-d2a4d1df-24
0.444
MAR-TRE-6a44bbf2-28
0.444
STE-KUL-2e0d2e88-7
0.443
MED-COV-dea4df70-1
0.437
WIL-LEE-23e8b574-7
0.431
MED-COV-4280ac29-15
0.429
HYO-UNK-49a60884-1
0.429
AAR-POS-d2a4d1df-35
0.429
JOH-UNI-0e1753c1-3
0.429
DRR-IMP-38dce17f-4
0.429
MED-COV-4280ac29-25
0.425
MED-COV-4280ac29-8
0.425
MAK-UNK-987948f6-2
0.424
JIA-UNI-93b03cae-1
0.422
MAK-UNK-af83ef51-1
0.420
AHN-SAT-de2502ba-7
0.419
JOK-SYG-18591e8f-1
0.418
MAK-UNK-7c9d1431-29
0.417
DRR-IMP-38dce17f-2
0.415
PAU-WEI-b9b69149-1
0.413
MAK-UNK-7c9d1431-28
0.413
DRR-IMP-38dce17f-5
0.413
SIM-SYN-f15aaa3a-1
0.410
DRR-IMP-38dce17f-6
0.410
DUN-NEW-f8ce3686-25
0.405
MED-COV-4280ac29-19
0.403
MAK-UNK-7c9d1431-20
0.400
AAR-POS-0daf6b7e-13
0.397
MAK-UNK-212f693e-8
0.397
LON-WEI-8f408cad-7
0.397
MAK-UNK-7c9d1431-9
0.397
MAR-TRE-6a44bbf2-21
0.397
DRR-IMP-38dce17f-1
0.397
GIA-UNK-20b63697-7
0.394
TOB-UNK-c2aba166-1
0.393
MAT-POS-ee51dedd-1
0.391
DRR-IMP-38dce17f-7
0.391
LON-WEI-8f408cad-5
0.391
AAR-POS-0daf6b7e-17
0.391
AAR-POS-0daf6b7e-2
0.391
MAK-UNK-6ca90168-14
0.391
STE-KUL-2e0d2e88-3
0.389
GIA-UNK-20b63697-5
0.389
PAU-UNI-b2b6b158-1
0.389
MAK-UNK-7c9d1431-27
0.388
PAU-UNI-8cdd41c7-1
0.387
MAR-TRE-6a44bbf2-61
0.387
AAR-POS-d2a4d1df-29
0.387
STE-KUL-2e0d2e88-2
0.387
GIA-UNK-20b63697-6
0.386
SAD-SAT-1b030f84-9
0.383
MAK-UNK-af83ef51-31
0.383
PAU-WEI-b9b69149-4
0.383
BEN-DND-76ad4ac9-9
0.380
BEN-DND-03406596-1
0.380
GIA-UNK-7337c2f3-2
0.380
DAR-DIA-3e9bbd81-12
0.380
MAR-TRE-6a44bbf2-92
0.379
GIA-UNK-20b63697-1
0.377
MIH-UNI-e573136b-5
0.375
GIA-UNK-7337c2f3-5
0.375
MAK-UNK-849bee6c-9
0.372
SEL-UNI-cd366922-5
0.371
MAK-UNK-7c9d1431-14
0.371
MAK-UNK-7c9d1431-16
0.371
MAR-TRE-6a44bbf2-54
0.371
GIA-UNK-20b63697-3
0.370
GIA-UNK-20b63697-2
0.370
GIA-UNK-20b63697-4
0.370
MAR-TRE-6a44bbf2-12
0.368
MED-COV-4280ac29-31
0.366
AAR-POS-d2a4d1df-40
0.366
AAR-POS-0daf6b7e-21
0.365
GIA-UNK-20b63697-8
0.365
AAR-POS-0daf6b7e-12
0.364
JOH-UNI-27ac80fd-23
0.364
MAK-UNK-212f693e-9
0.364
MAR-LAB-ca4662a6-2
0.364
WAR-XCH-79d12f6e-7
0.362
AHN-SAT-de2502ba-15
0.362
SEL-UNI-cd366922-2
0.361
SEL-UNI-cd366922-6
0.361
GIA-UNK-7337c2f3-11
0.360
SAD-SAT-5b1897b2-10
0.359
MAK-UNK-849bee6c-7
0.359
MAK-UNK-704ed37c-11
0.358
SWA-SYN-d2e6fa14-1
0.358
SWA-SYN-6423ea73-1
0.358
MAT-POS-2db6411e-2
0.358