Common name
ethanesulfonic acid
IUPAC name
ethanesulfonic acid
SMILES
CCS(=O)(=O)O
Common name
ethanesulfonic acid
IUPAC name
ethanesulfonic acid
SMILES
CCS(=O)(=O)O
INCHI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
FORMULA
C2H6O3S
Common name
ethanesulfonic acid
IUPAC name
ethanesulfonic acid
Molecular weight
110.132
clogP
-0.618
clogS
0.041
Frequency
0.0010
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
54.37
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00524 | Acamprosate |
|
Alcohol Deterrents; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence; | For the maintenance of abstinence from alcohol in patients with alcohol dependence who are abstinent at treatment initiation. |
| FDBD01539 | Tauroursodeoxycholic acid |
|
Antiviral Agents; Cholagogues and Choleretics; Cholesterol Absorption Inhibitors; | Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis. |
| FDBD02473 | benfuresate |
|
Herbicide | Herbicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dg9_ligand_2_9.mol2 | 1dg9 | 1 | -6.54 | CCS(=O)(=O)O | 6 |
| 1d1p_ligand_2_9.mol2 | 1d1p | 1 | -6.53 | C(S(=O)(=O)O)C | 6 |
| 3f81_ligand_1_0.mol2 | 3f81 | 1 | -6.41 | O=S(=O)(O)CC | 6 |
| 3blt_ligand_2_2.mol2 | 3blt | 1 | -6.10 | C(C)S(=O)(=O)O | 6 |
| 4fpk_ligand_1_2.mol2 | 4fpk | 1 | -5.99 | C(S(=O)(=O)O)C | 6 |
| 2vw2_ligand_1_1.mol2 | 2vw2 | 1 | -5.98 | C(S(=O)(=O)O)C | 6 |
| 3bm8_ligand_2_2.mol2 | 3bm8 | 1 | -5.97 | OS(=O)(=O)CC | 6 |
| 2jb5_ligand_1_0.mol2 | 2jb5 | 1 | -5.93 | CCS(=O)(=O)O | 6 |
| 4hwb_ligand_1_1.mol2 | 4hwb | 1 | -5.86 | C(S(=O)(=O)O)C | 6 |
| 2jb6_ligand_1_0.mol2 | 2jb6 | 1 | -5.85 | O=S(=O)(O)CC | 6 |
140 ,
15
