Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1 |
MW: | 381.885 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 1.3702 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MIH-UNI-e573136b-4
0.694
DAR-DIA-fb20be43-12
0.653
AAR-POS-d2a4d1df-40
0.614
MED-COV-4280ac29-31
0.614
SEL-UNI-cd366922-7
0.506
DAR-DIA-fb20be43-2
0.481
MIH-UNI-e573136b-5
0.474
PAU-UNI-19862c28-1
0.457
DAR-DIA-fb20be43-8
0.457
SIM-DEM-5935bd74-3
0.456
DAR-DIA-fb20be43-7
0.440
DAR-DIA-fb20be43-6
0.435
PET-SGC-85e821e4-2
0.430
SAD-SAT-581007d4-3
0.430
SAD-SAT-581007d4-4
0.430
SIM-DEM-5935bd74-1
0.430
STU-CHA-0f79177c-1
0.427
HYO-UNK-50298ba0-1
0.427
MAK-UNK-7c9d1431-20
0.427
SEL-UNI-cd366922-6
0.425
NIM-UNI-594fbbb6-3
0.422
NIM-UNI-bb610069-3
0.422
DRR-IMP-38dce17f-2
0.421
NEH-REV-107bcf72-5
0.421
JOO-IND-6372a4f3-6
0.415
JOO-IND-6372a4f3-4
0.412
JOK-SYG-302da050-2
0.411
DRR-IMP-38dce17f-1
0.405
STU-CHA-464c0256-1
0.404
SAD-SAT-bc31ec01-1
0.400
STE-UNK-13e151dd-1
0.400
BOG-INS-0b2b845a-1
0.398
TAM-UNI-d1c3dd9f-6
0.398
MAK-UNK-af83ef51-17
0.396
MED-COV-4280ac29-5
0.396
MED-COV-4280ac29-15
0.395
JOH-UNI-0e1753c1-3
0.395
HYO-UNK-49a60884-1
0.395
AAR-POS-d2a4d1df-35
0.395
BOG-INS-bdba9cfb-1
0.394
MAK-UNK-e4a48a85-26
0.393
JOO-IND-6372a4f3-5
0.393
JOO-PER-58e158bd-1
0.391
JIA-UNI-93b03cae-1
0.390
AAR-POS-d2a4d1df-24
0.390
MAK-UNK-7c9d1431-24
0.389
DRR-IMP-38dce17f-3
0.389
TAM-UNI-d1c3dd9f-4
0.389
MED-COV-4280ac29-37
0.388
HEI-REL-0c990a45-4
0.386
NIM-UNI-363644a0-1
0.385
MAT-POS-ee51dedd-1
0.383
NIR-THE-0d6461ce-5
0.382
NIR-THE-0d6461ce-4
0.382
DRR-IMP-38dce17f-5
0.382
MAK-UNK-af83ef51-15
0.381
JAN-GHE-1d98ec1c-1
0.381
MAK-UNK-bae89c02-3
0.380
JOK-SYG-6ec557d2-1
0.380
TAM-UNI-d1c3dd9f-18
0.379
PED-UNI-89deb5c9-1
0.378
TAM-UNI-d1c3dd9f-14
0.378
TAM-UNI-d1c3dd9f-20
0.376
DAR-DIA-fb20be43-3
0.375
SAD-SAT-581007d4-1
0.372
KEI-UNI-85a52787-2
0.371
JOK-SYG-18591e8f-1
0.370
DRR-IMP-dff87f5e-2
0.369
MAK-UNK-7c9d1431-3
0.369
DUN-NEW-f8ce3686-24
0.368
STU-CHA-6d5cfe2b-1
0.368
MAR-TRE-6a44bbf2-18
0.367
BEN-DND-03406596-10
0.367
AAR-POS-d2a4d1df-23
0.367
LON-WEI-8f408cad-4
0.367
TAM-UNI-d1c3dd9f-13
0.367
SAD-SAT-65574d3f-10
0.366
MAK-UNK-10dfa458-38
0.366
MAK-UNK-7c9d1431-29
0.365
PAU-UNI-b2b6b158-1
0.365
KEI-UNI-85a52787-3
0.364
MAK-UNK-7c9d1431-28
0.364
DAR-DIA-fb20be43-1
0.364
AAR-POS-0daf6b7e-17
0.364
TAM-UNI-d1c3dd9f-17
0.364
LON-WEI-8f408cad-5
0.364
MED-COV-4280ac29-19
0.363
TAT-ENA-80bfd3e5-20
0.361
AAR-POS-d2a4d1df-41
0.361
KEI-UNI-85a52787-1
0.361
DRR-IMP-38dce17f-8
0.360
DRR-IMP-38dce17f-6
0.360
PAU-UNI-8cdd41c7-1
0.360
DRR-IMP-38dce17f-4
0.359
TAM-UNI-d1c3dd9f-9
0.359
DUN-NEW-f8ce3686-2
0.359
TAM-UNI-d1c3dd9f-15
0.359
AHN-SAT-de2502ba-15
0.358
MAK-UNK-69bf97dd-4
0.358
DAR-DIA-3e9bbd81-10
0.354