Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc(Cl)cc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 365.04 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 0.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-1
SAD-SAT-581007d4-4
0.672
PAU-UNI-8cdd41c7-1
0.655
SAD-SAT-581007d4-2
0.600
MAT-POS-2db6411e-2
0.600
SAD-SAT-581007d4-7
0.600
SAD-SAT-581007d4-1
0.600
MED-COV-4280ac29-33
0.569
SAD-SAT-581007d4-6
0.538
AAR-POS-d2a4d1df-35
0.508
HYO-UNK-49a60884-1
0.508
MED-COV-4280ac29-15
0.508
JOH-UNI-0e1753c1-3
0.508
SEL-UNI-cd366922-7
0.500
MAK-UNK-7c9d1431-29
0.500
SAD-SAT-581007d4-10
0.493
DRR-IMP-38dce17f-6
0.468
MAK-UNK-af83ef51-17
0.464
MAK-UNK-7c9d1431-24
0.459
DRR-IMP-38dce17f-3
0.459
JIA-UNI-93b03cae-1
0.455
MIH-UNI-e573136b-4
0.442
DRR-IMP-38dce17f-4
0.439
AAR-POS-d2a4d1df-24
0.433
MAK-UNK-212f693e-8
0.431
LON-WEI-8f408cad-7
0.431
AAR-POS-0daf6b7e-13
0.431
DAR-DIA-fb20be43-9
0.430
DAR-DIA-fb20be43-12
0.430
TAM-UNI-d1c3dd9f-16
0.427
DRR-IMP-38dce17f-2
0.426
MIH-UNI-e573136b-5
0.425
SAD-SAT-bc31ec01-5
0.424
DRR-IMP-38dce17f-7
0.424
MAK-UNK-6ca90168-14
0.424
MAK-UNK-7c9d1431-14
0.423
KIM-UNI-2ee5d8f9-1
0.415
NIM-UNI-bb610069-3
0.410
NIM-UNI-594fbbb6-3
0.410
DRR-IMP-38dce17f-1
0.409
JOK-SYG-18591e8f-1
0.408
NEH-REV-107bcf72-5
0.406
AAR-POS-0daf6b7e-2
0.403
SAD-SAT-bc31ec01-1
0.403
DRR-IMP-38dce17f-5
0.403
MAK-UNK-7c9d1431-16
0.403
MAT-POS-ee51dedd-1
0.403
MAR-TRE-6a44bbf2-54
0.403
SAD-SAT-5b1897b2-5
0.403
TAM-UNI-d1c3dd9f-6
0.400
HYO-UNK-50298ba0-1
0.395
DRR-IMP-dff87f5e-8
0.394
MAK-UNK-7c9d1431-21
0.394
JOO-PER-58e158bd-1
0.392
MAK-UNK-af83ef51-1
0.392
PAU-UNI-19862c28-1
0.390
DAR-DIA-fb20be43-8
0.390
MAK-UNK-849bee6c-2
0.386
ASH-SAT-43770c7d-5
0.386
SAD-SAT-581007d4-8
0.386
TAM-UNI-d1c3dd9f-5
0.383
LON-WEI-8f408cad-5
0.382
AAR-POS-0daf6b7e-17
0.382
DRR-IMP-dff87f5e-3
0.382
AAR-POS-d2a4d1df-44
0.382
MAK-UNK-7c9d1431-28
0.382
MAK-UNK-7c9d1431-18
0.382
NEH-REV-107bcf72-3
0.382
JOK-SYG-6ec557d2-1
0.381
MAR-TRE-6a44bbf2-68
0.377
MAR-LAB-efb042c5-5
0.377
AAR-POS-0daf6b7e-12
0.377
MAR-LAB-ca4662a6-2
0.377
AAR-POS-d2a4d1df-27
0.377
JOH-UNI-27ac80fd-23
0.377
MAK-UNK-af83ef51-14
0.375
SAD-SAT-bc31ec01-4
0.375
AHN-SAT-de2502ba-15
0.375
STU-CHA-464c0256-1
0.373
MED-COV-4280ac29-37
0.372
MAK-UNK-7c9d1431-20
0.371
MAK-UNK-849bee6c-19
0.371
MAK-UNK-849bee6c-22
0.370
MAK-UNK-849bee6c-25
0.370
SAD-SAT-1b030f84-8
0.367
SAD-SAT-5b1897b2-2
0.366
KAI-MCD-cb49037b-1
0.366
DAV-CRI-d1e0885a-1
0.365
SAD-SAT-65574d3f-10
0.365
JOK-SYG-302da050-2
0.365
PED-UNI-89deb5c9-1
0.361
MAK-UNK-849bee6c-18
0.360
STE-KUL-2e0d2e88-7
0.359
MAK-UNK-849bee6c-21
0.359
MAK-UNK-10dfa458-19
0.359
PEI-IMP-ca0b2813-2
0.357
SAD-SAT-581007d4-5
0.357
MAK-UNK-849bee6c-6
0.356
MAK-UNK-7c9d1431-10
0.356
MAK-UNK-849bee6c-17
0.356
MAK-UNK-849bee6c-3
0.356