Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(C(c2ccccc2)C2CCS(=O)(=O)CC2)CC1 |
MW: | 384.929 |
Fraction sp3: | 0.61 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 1.9355 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
VIR-GIT-7b3d3065-2
GIA-UNK-20b63697-6
0.721
GIA-UNK-20b63697-5
0.714
GIA-UNK-20b63697-2
0.688
GIA-UNK-20b63697-4
0.688
GIA-UNK-20b63697-8
0.677
GIA-UNK-20b63697-9
0.592
SIM-SYN-f15aaa3a-1
0.492
GIA-UNK-20b63697-7
0.471
GIA-UNK-4de5abb1-3
0.466
SEL-UNI-cd366922-5
0.465
MAR-TRE-6a44bbf2-92
0.456
MAK-UNK-6ca90168-11
0.448
GIA-UNK-7337c2f3-3
0.438
GIA-UNK-7337c2f3-6
0.438
GIA-UNK-7337c2f3-10
0.438
GIA-UNK-7337c2f3-2
0.432
DAR-DIA-3e9bbd81-12
0.432
SEL-UNI-cd366922-2
0.432
GIA-UNK-20b63697-1
0.431
GIA-UNK-7337c2f3-1
0.431
GIA-UNK-7337c2f3-9
0.427
GIA-UNK-7337c2f3-5
0.427
GIA-UNK-7337c2f3-8
0.427
GIA-UNK-7337c2f3-4
0.425
GIA-UNK-7337c2f3-7
0.425
GIA-UNK-4de5abb1-1
0.419
GIA-UNK-7337c2f3-11
0.410
GIA-UNK-7337c2f3-12
0.408
DAR-DIA-3e9bbd81-11
0.405
GIA-UNK-7337c2f3-13
0.405
GIA-UNK-7337c2f3-15
0.400
MAK-UNK-af83ef51-2
0.397
MAK-UNK-987948f6-2
0.394
DRR-IMP-38dce17f-3
0.394
MAK-UNK-7c9d1431-24
0.394
MAK-UNK-10dfa458-39
0.387
AAR-POS-0daf6b7e-16
0.377
GIA-UNK-c4371e97-2
0.375
MED-COV-4280ac29-6
0.375
AAR-POS-0daf6b7e-5
0.375
PAU-WEI-b9b69149-1
0.373
AHN-SAT-de2502ba-7
0.371
MIH-UNI-e573136b-7
0.370
MAK-UNK-15efde89-1
0.370
MAK-UNK-3e0761f8-9
0.369
GIA-UNK-7337c2f3-14
0.369
MAK-UNK-5d2caa6f-4
0.366
SAD-SAT-65574d3f-1
0.356
MAK-UNK-7c9d1431-23
0.356
MAR-TRE-6a44bbf2-28
0.356
AHN-SAT-de2502ba-14
0.356
MED-COV-4280ac29-18
0.354
AHN-SAT-de2502ba-1
0.354
YOI-UNK-12211982-6
0.354
YOI-UNK-a533afbc-6
0.354
MAR-TRE-6a44bbf2-21
0.352
MAK-UNK-7c9d1431-9
0.352
MED-COV-4280ac29-23
0.350
SAD-SAT-5b1897b2-6
0.348
MAK-UNK-5d2caa6f-5
0.341
NIM-UNI-ed9fc491-3
0.341
SWA-SYN-6423ea73-1
0.338
SWA-SYN-d2e6fa14-1
0.338
STE-KUL-2e0d2e88-1
0.338
PAU-WEI-b9b69149-4
0.333
MAR-TRE-6a44bbf2-86
0.333
SAD-SAT-5b1897b2-3
0.333
SEL-UNI-cd366922-9
0.333
SAD-SAT-bc31ec01-2
0.333
LON-WEI-120e5cf5-15
0.333
MED-COV-4280ac29-8
0.333
MED-COV-4280ac29-21
0.330
GIA-UNK-c4371e97-1
0.329
MED-COV-4280ac29-7
0.329
MAR-TRE-6a44bbf2-9
0.329
MAR-TRE-6a44bbf2-77
0.329
MAK-UNK-7c9d1431-27
0.329
LON-WEI-120e5cf5-5
0.329
DRR-IMP-38dce17f-5
0.329
MAK-UNK-7c9d1431-28
0.329
LON-WEI-8f408cad-5
0.329
AAR-POS-0daf6b7e-17
0.329
SAD-SAT-1b030f84-9
0.327
MIH-UNI-e573136b-6
0.326
MED-COV-dea4df70-1
0.325
GIA-UNK-4de5abb1-4
0.325
MAK-UNK-af83ef51-1
0.325
WAR-XCH-79d12f6e-7
0.325
MAR-TRE-6a44bbf2-61
0.324
AAR-POS-d2a4d1df-29
0.324
GIA-UNK-c4371e97-3
0.321
MAK-UNK-6ca90168-3
0.321
MAK-UNK-6ca90168-4
0.320
MAK-UNK-7c9d1431-20
0.320
MAK-UNK-7c9d1431-12
0.320
AAR-POS-d2a4d1df-24
0.320
SAD-SAT-5b1897b2-10
0.319
JOH-UNI-27ac80fd-25
0.319
NEH-REV-107bcf72-2
0.318
SEA-TRI-8222e606-1
0.318