Common name
1-ethylsulfonylethane
IUPAC name
1-ethylsulfonylethane
SMILES
CCS(=O)(=O)CC
Common name
1-ethylsulfonylethane
IUPAC name
1-ethylsulfonylethane
SMILES
CCS(=O)(=O)CC
INCHI
InChI=1S/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3
FORMULA
C4H10O2S
Common name
1-ethylsulfonylethane
IUPAC name
1-ethylsulfonylethane
Molecular weight
122.186
clogP
0.187
clogS
-1.343
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00768 | Tinidazole |
|
Antiprotozoal Agents; Anti-Infective Agents; Alkylating Agents; Antitrichomonal Agents; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Imidazole Derivatives; Nitroimidazole Derivatives; CYP3A4 Inhibitors; | For the treatment of trichomoniasis caused by . |
| FDBD02093 | demeton-S-methylsulphon |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hiz_ligand_4_1506.mol2 | 2hiz | 1 | -5.64 | CCS(=O)(=O)CC | 7 |
| 2hm1_ligand_4_12.mol2 | 2hm1 | 1 | -5.61 | CCS(=O)(=O)CC | 7 |
| 2hiz_ligand_4_946.mol2 | 2hiz | 1 | -5.56 | CCS(=O)(=O)CC | 7 |
| 4oba_ligand_3_52.mol2 | 4oba | 0.916667 | -6.03 | CCS(=O)(=O)C(C)(C)C | 9 |
| 3d91_ligand_3_0.mol2 | 3d91 | 0.916667 | -6.01 | CCS(=O)(=O)C(C)(C)C | 9 |
| 4oas_ligand_3_53.mol2 | 4oas | 0.916667 | -6.00 | S(=O)(=O)(CC)C(C)(C)C | 9 |
| 4occ_ligand_3_50.mol2 | 4occ | 0.916667 | -6.00 | C(S(=O)(=O)C(C)(C)C)C | 9 |
| 4wt2_ligand_3_155.mol2 | 4wt2 | 0.916667 | -5.94 | CCS(=O)(=O)C(C)(C)C | 9 |
| 1fmb_ligand_3_9.mol2 | 1fmb | 0.916667 | -5.93 | S(=O)(=O)(CC)C(C)(C)C | 9 |
| 4ode_ligand_3_100.mol2 | 4ode | 0.916667 | -5.91 | S(=O)(=O)(C(C)(C)C)CC | 9 |
244 ,
25
