Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2cc(CN3CCN(C(=O)CCl)CC3)ccc2c1 |
MW: | 381.885 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 1.3702 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
TAM-UNI-d1c3dd9f-6
0.595
JAN-GHE-1d98ec1c-1
0.586
MIH-UNI-6b9ca91a-9
0.526
MIH-UNI-e573136b-4
0.519
DAR-DIA-fb20be43-12
0.506
DAR-DIA-fb20be43-9
0.506
SAD-SAT-581007d4-3
0.500
SAD-SAT-581007d4-4
0.500
JIA-UNI-93b03cae-1
0.478
NIR-THE-0d6461ce-4
0.475
MED-COV-4280ac29-15
0.464
HYO-UNK-49a60884-1
0.464
JOH-UNI-0e1753c1-3
0.464
AAR-POS-d2a4d1df-35
0.464
AAR-POS-d2a4d1df-24
0.457
MAK-UNK-7c9d1431-29
0.455
DRR-IMP-38dce17f-2
0.451
MAT-POS-ee51dedd-1
0.446
SAD-SAT-5b1897b2-5
0.446
MAK-UNK-7c9d1431-16
0.446
MAK-UNK-7c9d1431-14
0.446
MAR-TRE-6a44bbf2-54
0.446
MAK-UNK-7c9d1431-24
0.439
DRR-IMP-38dce17f-3
0.439
NIR-THE-0d6461ce-5
0.439
SIM-DEM-5935bd74-4
0.432
JOK-SYG-18591e8f-1
0.432
MAK-UNK-6ca90168-14
0.429
DRR-IMP-38dce17f-7
0.429
PAU-UNI-8cdd41c7-1
0.426
DRR-IMP-38dce17f-6
0.426
MAK-UNK-7c9d1431-18
0.423
TAM-UNI-d1c3dd9f-5
0.422
MAK-UNK-af83ef51-17
0.418
LON-WEI-8f408cad-7
0.414
AAR-POS-0daf6b7e-13
0.414
MAK-UNK-212f693e-8
0.414
NIM-UNI-594fbbb6-3
0.414
NIM-UNI-bb610069-3
0.414
JAN-GHE-1d98ec1c-3
0.412
TAM-UNI-d1c3dd9f-4
0.412
MAK-UNK-af83ef51-14
0.411
SIM-DEM-5935bd74-2
0.405
DRR-IMP-38dce17f-4
0.403
SAD-SAT-581007d4-1
0.397
SAD-SAT-581007d4-2
0.397
MAT-POS-2db6411e-2
0.397
SAD-SAT-581007d4-7
0.397
MIH-UNI-e573136b-5
0.392
NEH-REV-107bcf72-5
0.392
SAD-SAT-bc31ec01-1
0.389
JOK-SYG-6ec557d2-1
0.386
MED-COV-4280ac29-33
0.385
PED-UNI-89deb5c9-1
0.384
MAR-LAB-ca4662a6-2
0.384
MAK-UNK-7c9d1431-21
0.382
SEL-UNI-cd366922-8
0.380
MAK-UNK-849bee6c-8
0.380
MAK-UNK-849bee6c-6
0.378
SAD-SAT-581007d4-6
0.377
MAK-UNK-849bee6c-7
0.376
DRR-IMP-dff87f5e-2
0.375
MAK-UNK-7c9d1431-3
0.375
DRR-IMP-38dce17f-1
0.375
PAU-UNI-2d648ace-1
0.374
MAK-UNK-cd94b63c-1
0.372
MAK-UNK-176ca439-3
0.372
MAK-UNK-849bee6c-9
0.372
MAK-UNK-7c9d1431-28
0.370
LON-WEI-8f408cad-5
0.370
AAR-POS-0daf6b7e-2
0.370
AAR-POS-0daf6b7e-17
0.370
DRR-IMP-38dce17f-5
0.370
MAK-UNK-af83ef51-16
0.368
TAM-UNI-d1c3dd9f-12
0.368
MAK-UNK-849bee6c-12
0.367
MAK-UNK-ec98eaf6-35
0.367
HYO-UNK-50298ba0-1
0.366
AAR-POS-0daf6b7e-12
0.365
JOH-UNI-27ac80fd-23
0.365
STU-CHA-464c0256-1
0.364
MAK-UNK-69bf97dd-4
0.363
MAK-UNK-af83ef51-1
0.362
MAK-UNK-849bee6c-3
0.362
MAK-UNK-849bee6c-13
0.362
MAK-UNK-e4a48a85-18
0.362
DAR-DIA-fb20be43-8
0.361
PAU-UNI-19862c28-1
0.361
TAM-UNI-d1c3dd9f-16
0.361
MAK-UNK-7c9d1431-23
0.360
MAK-UNK-7c9d1431-20
0.360
MAR-TRE-6a44bbf2-28
0.360
MAK-UNK-849bee6c-14
0.360
MAK-UNK-176ca439-4
0.359
MAK-UNK-3c359d2a-1
0.359
TAM-UNI-d1c3dd9f-19
0.359
JAN-GHE-1d98ec1c-8
0.358
JAN-GHE-1d98ec1c-5
0.357
STU-CHA-0f79177c-1
0.356
JOK-SYG-302da050-2
0.356