Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2ccc(CS(=O)(=O)F)cc2)CC1 |
MW: | 348.827 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 57.69 |
cLogP: | 1.3689 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
halogen_heteroatom
sulfonyl_halide
Acyl halides and analogues
Halogen-bonded heteroatoms
Filter2_acyl_phosphyl_sulfonyl_halide
Filter25_sulfonyl_halide
Filter47_so2f
sufonyl halide
acid halide
P/S halide
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
MED-COV-4280ac29-15
MAK-UNK-7c9d1431-29
0.615
MAK-UNK-6ca90168-14
0.571
DRR-IMP-38dce17f-7
0.571
MAK-UNK-7c9d1431-24
0.566
DRR-IMP-38dce17f-3
0.566
DRR-IMP-38dce17f-6
0.545
MAK-UNK-7c9d1431-21
0.500
AAR-POS-0daf6b7e-13
0.500
MAK-UNK-212f693e-8
0.500
LON-WEI-8f408cad-7
0.500
DRR-IMP-38dce17f-2
0.492
PAU-UNI-8cdd41c7-1
0.491
SAD-SAT-5b1897b2-5
0.484
MED-COV-4280ac29-15
0.483
JOH-UNI-0e1753c1-3
0.483
DRR-IMP-38dce17f-4
0.483
AAR-POS-d2a4d1df-35
0.483
HYO-UNK-49a60884-1
0.483
SEL-UNI-cd366922-7
0.478
AAR-POS-d2a4d1df-24
0.475
SAD-SAT-581007d4-1
0.475
MAR-TRE-6a44bbf2-54
0.462
MAK-UNK-7c9d1431-14
0.462
MAK-UNK-7c9d1431-16
0.462
MAR-LAB-ca4662a6-2
0.459
SAD-SAT-581007d4-3
0.455
SAD-SAT-581007d4-4
0.455
TAM-UNI-d1c3dd9f-6
0.452
TAM-UNI-d1c3dd9f-5
0.452
MAT-POS-2db6411e-2
0.452
SAD-SAT-581007d4-2
0.452
SAD-SAT-581007d4-7
0.452
DRR-IMP-38dce17f-1
0.450
MAK-UNK-af83ef51-1
0.448
JOK-SYG-18591e8f-1
0.446
DRR-IMP-38dce17f-5
0.443
MAK-UNK-7c9d1431-28
0.443
LON-WEI-8f408cad-5
0.443
AAR-POS-0daf6b7e-17
0.443
AAR-POS-0daf6b7e-2
0.443
MAT-POS-ee51dedd-1
0.439
AAR-POS-0daf6b7e-12
0.435
JOH-UNI-27ac80fd-23
0.435
MAK-UNK-7c9d1431-18
0.435
AHN-SAT-de2502ba-15
0.431
MAK-UNK-7c9d1431-20
0.429
MAK-UNK-15efde89-1
0.422
SAD-SAT-5b1897b2-2
0.422
NEH-REV-107bcf72-5
0.422
TAM-UNI-d1c3dd9f-4
0.421
MIH-UNI-e573136b-5
0.420
SAD-SAT-bc31ec01-1
0.419
MED-COV-4280ac29-33
0.412
STE-KUL-2e0d2e88-7
0.408
DAR-DIA-fb20be43-12
0.408
MAK-UNK-7c9d1431-23
0.406
MAR-TRE-6a44bbf2-28
0.406
WIL-LEE-23e8b574-4
0.406
TAM-UNI-d1c3dd9f-16
0.403
MAK-UNK-af83ef51-14
0.402
ASH-SAT-43770c7d-5
0.400
MAT-POS-162a9720-4
0.400
KAI-MCD-cb49037b-1
0.400
MIH-UNI-e573136b-4
0.400
DAV-CRI-d1e0885a-1
0.397
MAK-UNK-849bee6c-9
0.395
PAU-UNI-b2b6b158-1
0.394
JOK-SYG-302da050-2
0.392
SAD-SAT-1b030f84-9
0.391
MED-COV-4280ac29-31
0.391
AAR-POS-d2a4d1df-40
0.391
KAY-MCD-d0fe5261-1
0.391
MAR-TRE-6a44bbf2-58
0.391
DRR-IMP-dff87f5e-1
0.391
DAR-DIA-fb20be43-9
0.390
TAM-UNI-d1c3dd9f-12
0.390
DAR-DIA-fb20be43-2
0.389
ANT-OPE-d972fbad-1
0.387
SEL-UNI-cd366922-6
0.386
AHN-SAT-de2502ba-14
0.385
SAD-SAT-65574d3f-1
0.385
WIL-LEE-23e8b574-2
0.385
SAD-SAT-1b030f84-8
0.382
MAK-UNK-849bee6c-7
0.382
KAT-UNK-48001bce-1
0.379
KAT-MCD-525c981a-1
0.379
STE-UNK-13e151dd-1
0.378
MAK-UNK-176ca439-5
0.378
MAK-UNK-72b7ba6b-1
0.378
SAD-SAT-65574d3f-10
0.377
MAK-UNK-176ca439-3
0.377
MAK-UNK-cd94b63c-1
0.377
MAK-UNK-af83ef51-17
0.376
AAR-POS-d2a4d1df-44
0.375
DRR-IMP-dff87f5e-3
0.375
MAT-POS-162a9720-5
0.375
TOB-UNK-c2aba166-1
0.375
STU-CHA-0f79177c-1
0.375
MED-COV-4280ac29-8
0.373
MED-COV-4280ac29-25
0.373