Molecular Properties | |
SMILES: | Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(S(N)(=O)=O)c1 |
MW: | 345.09 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 0.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
SAD-SAT-581007d4-3
0.672
SAD-SAT-581007d4-2
0.600
MAK-UNK-af83ef51-17
0.537
PAU-UNI-8cdd41c7-1
0.517
AAR-POS-d2a4d1df-24
0.500
SEL-UNI-cd366922-7
0.500
MED-COV-4280ac29-33
0.478
MAT-POS-2db6411e-2
0.477
SAD-SAT-581007d4-1
0.477
SAD-SAT-581007d4-7
0.477
DRR-IMP-38dce17f-6
0.468
TAM-UNI-d1c3dd9f-16
0.466
DRR-IMP-38dce17f-3
0.459
MAK-UNK-7c9d1431-24
0.459
MAK-UNK-7c9d1431-21
0.456
JIA-UNI-93b03cae-1
0.455
MAK-UNK-849bee6c-19
0.452
MAK-UNK-7c9d1431-29
0.452
MIH-UNI-e573136b-4
0.442
MAR-LAB-ca4662a6-2
0.439
JOH-UNI-0e1753c1-3
0.439
AAR-POS-d2a4d1df-27
0.439
MAR-TRE-6a44bbf2-68
0.439
HYO-UNK-49a60884-1
0.439
AAR-POS-d2a4d1df-35
0.439
MED-COV-4280ac29-15
0.439
MAR-LAB-efb042c5-5
0.439
DRR-IMP-38dce17f-4
0.439
MAK-UNK-849bee6c-2
0.435
MAK-UNK-849bee6c-22
0.432
MAK-UNK-849bee6c-25
0.432
MAK-UNK-212f693e-8
0.431
LON-WEI-8f408cad-7
0.431
AAR-POS-0daf6b7e-13
0.431
DAR-DIA-fb20be43-12
0.430
DAR-DIA-fb20be43-9
0.430
JOK-SYG-18591e8f-1
0.429
SAD-SAT-581007d4-6
0.429
DRR-IMP-38dce17f-2
0.426
MIH-UNI-e573136b-5
0.425
MAK-UNK-6ca90168-14
0.424
DRR-IMP-38dce17f-7
0.424
MAK-UNK-849bee6c-18
0.424
MAK-UNK-af83ef51-14
0.424
MAK-UNK-7c9d1431-14
0.423
SAD-SAT-5b1897b2-5
0.423
MAK-UNK-10dfa458-19
0.420
MAK-UNK-849bee6c-21
0.420
TAM-UNI-d1c3dd9f-6
0.418
MAK-UNK-849bee6c-1
0.414
MAK-UNK-10dfa458-43
0.414
MAK-UNK-7c9d1431-20
0.412
NIM-UNI-bb610069-3
0.410
NIM-UNI-594fbbb6-3
0.410
MAK-UNK-849bee6c-24
0.409
MAK-UNK-af83ef51-22
0.409
NEH-REV-107bcf72-5
0.406
SAD-SAT-5b1897b2-2
0.406
MAK-UNK-7c9d1431-28
0.403
DRR-IMP-38dce17f-5
0.403
MAR-TRE-6a44bbf2-54
0.403
MAT-POS-ee51dedd-1
0.403
MAK-UNK-7c9d1431-16
0.403
SAD-SAT-65574d3f-10
0.403
MAK-UNK-849bee6c-20
0.402
MAK-UNK-849bee6c-23
0.402
TAM-UNI-d1c3dd9f-5
0.400
MAK-UNK-7c9d1431-18
0.400
MAK-UNK-af83ef51-1
0.392
RHE-UNK-eb059eb9-1
0.389
MAR-TRE-6a44bbf2-13
0.389
WAR-XCH-79d12f6e-6
0.389
AAR-POS-0daf6b7e-3
0.389
AAR-POS-d2a4d1df-36
0.389
DRR-IMP-38dce17f-1
0.388
ASH-SAT-43770c7d-5
0.386
MAK-UNK-849bee6c-26
0.383
AAR-POS-0daf6b7e-2
0.382
AAR-POS-0daf6b7e-17
0.382
LON-WEI-8f408cad-5
0.382
SAD-SAT-bc31ec01-1
0.382
JOK-SYG-6ec557d2-1
0.381
MAR-TRE-6a44bbf2-12
0.380
MAR-TRE-6a44bbf2-26
0.380
MAK-UNK-7c9d1431-8
0.380
AAR-POS-d2a4d1df-25
0.379
AHN-SAT-de2502ba-8
0.379
JOH-UNI-27ac80fd-23
0.377
AAR-POS-0daf6b7e-12
0.377
STU-CHA-464c0256-1
0.373
DAV-CRI-d1e0885a-6
0.372
DAV-CRI-d1e0885a-4
0.367
SAD-SAT-1b030f84-8
0.367
MAK-UNK-af83ef51-33
0.366
MAK-UNK-176ca439-3
0.366
MAK-UNK-cd94b63c-1
0.366
DAV-CRI-d1e0885a-2
0.366
STU-CHA-0f79177c-1
0.365
JOK-SYG-302da050-2
0.365
JOH-UNI-27ac80fd-38
0.364