Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(=O)CC(CCc2ccccc2)N2CCN(C(=O)CCl)CC2)CC1 |
MW: | 482.19 |
Fraction sp3: | 0.61 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 64.17 |
cLogP: | 1.67 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
VIR-GIT-7b3d3065-2
MAK-UNK-af83ef51-2
0.578
MAK-UNK-10dfa458-39
0.561
PAU-WEI-b9b69149-1
0.527
DRR-IMP-38dce17f-3
0.468
MAK-UNK-7c9d1431-24
0.468
MAK-UNK-15efde89-1
0.456
PAU-WEI-b9b69149-4
0.451
GIA-UNK-20b63697-1
0.437
GIA-UNK-20b63697-7
0.435
SIM-SYN-f15aaa3a-1
0.431
MAK-UNK-7c9d1431-23
0.420
MAR-TRE-6a44bbf2-28
0.420
GIA-UNK-7337c2f3-2
0.419
DAR-DIA-3e9bbd81-12
0.419
AHN-SAT-de2502ba-7
0.418
MAR-TRE-6a44bbf2-61
0.409
AAR-POS-d2a4d1df-29
0.409
MAK-UNK-10dfa458-9
0.403
MED-COV-4280ac29-6
0.400
MAR-TRE-6a44bbf2-92
0.400
MAK-UNK-987948f6-2
0.400
PAU-WEI-b9b69149-7
0.396
SEL-UNI-cd366922-5
0.392
MAR-TRE-6a44bbf2-9
0.387
GIA-UNK-7337c2f3-6
0.387
JOH-UNI-0e1753c1-3
0.386
MED-COV-4280ac29-15
0.386
AAR-POS-d2a4d1df-35
0.386
HYO-UNK-49a60884-1
0.386
PAU-WEI-b9b69149-3
0.381
AAR-POS-d2a4d1df-24
0.380
GIA-UNK-7337c2f3-1
0.378
NIM-UNI-ed9fc491-3
0.375
GIA-UNK-7337c2f3-4
0.373
GIA-UNK-7337c2f3-7
0.373
DUN-NEW-f8ce3686-25
0.370
GIA-UNK-4de5abb1-1
0.368
GIA-UNK-7337c2f3-3
0.368
GIA-UNK-20b63697-6
0.368
GIA-UNK-7337c2f3-10
0.368
PAU-WEI-b9b69149-2
0.368
STE-KUL-2e0d2e88-7
0.367
SEL-UNI-cd366922-2
0.364
BEN-DND-76ad4ac9-9
0.364
BEN-DND-03406596-1
0.364
AAR-POS-0daf6b7e-16
0.362
GIA-UNK-7337c2f3-8
0.359
GIA-UNK-7337c2f3-12
0.359
MED-COV-4280ac29-18
0.359
GIA-UNK-7337c2f3-5
0.359
GIA-UNK-7337c2f3-9
0.359
SAD-SAT-1b030f84-9
0.358
MAK-UNK-6ca90168-10
0.357
MAR-TRE-6a44bbf2-21
0.357
MAK-UNK-7c9d1431-9
0.357
GIA-UNK-20b63697-2
0.354
GIA-UNK-20b63697-3
0.354
GIA-UNK-20b63697-5
0.354
SAD-SAT-c989feaa-4
0.354
GIA-UNK-20b63697-4
0.354
SEA-TRI-8222e606-1
0.354
MED-COV-4280ac29-8
0.354
MED-COV-4280ac29-25
0.354
MED-COV-4280ac29-19
0.353
MAK-UNK-6ca90168-15
0.352
MAK-UNK-7c9d1431-27
0.351
GIA-UNK-20b63697-8
0.350
MED-COV-4280ac29-7
0.350
MAK-UNK-df1a028e-4
0.350
DRR-IMP-38dce17f-4
0.347
WAR-XCH-79d12f6e-7
0.347
MAK-UNK-af83ef51-1
0.346
MED-COV-dea4df70-1
0.346
GIA-UNK-7337c2f3-11
0.346
AAR-POS-0daf6b7e-21
0.345
DAN-MCD-1a622181-1
0.344
DAN-MCD-9950a804-1
0.344
DAN-MCD-34fd4f29-1
0.344
JOH-UNI-27ac80fd-25
0.343
MAK-UNK-7c9d1431-12
0.342
SWA-SYN-6423ea73-1
0.342
SWA-SYN-d2e6fa14-1
0.342
MAK-UNK-7c9d1431-20
0.342
AHN-SAT-de2502ba-14
0.342
SAD-SAT-65574d3f-1
0.342
MIH-UNI-e573136b-5
0.342
GIA-UNK-7337c2f3-13
0.341
DAR-DIA-3e9bbd81-11
0.341
GIA-UNK-7337c2f3-14
0.341
MAK-UNK-704ed37c-11
0.339
SAD-SAT-65574d3f-9
0.338
DRR-IMP-38dce17f-2
0.338
MAK-UNK-6ca90168-9
0.338
GIA-UNK-7337c2f3-15
0.337
GIA-UNK-20b63697-9
0.333
DRR-IMP-38dce17f-5
0.333
AAR-POS-0daf6b7e-17
0.333
MAK-UNK-6ca90168-11
0.333
PAU-WEI-3e86dfd8-2
0.333
AAR-POS-0daf6b7e-2
0.333