Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
INCHI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FORMULA
C2H4O2
Common name
acetic acid
IUPAC name
acetic acid
Molecular weight
60.052
clogP
-0.484
clogS
0.534
Frequency
0.0687
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01786 | Tianeptine |
|
Nervous System; Antidepressants; Psychoanaleptics; | Used primarily in the treatment of major depressive disorder, although it may also be used to treat asthma or irritable bowel syndrome. |
| FDBD01789 | Sacubitril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; | Used in combination with valsartan to reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV). |
| FDBD01812 | Ipodate |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | |
| FDBD01813 | Mersalyl |
|
Enzyme Inhibitors; Diuretics; Cardiovascular System; Low-Ceiling Diuretics, Excl. Thiazides; Mercurial Diuretics; | |
| FDBD01814 | Tyropanoic acid |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | For use in cholecystography (X-ray diagnosis of gallstones). |
| FDBD01835 | Lesinurad |
|
Gout Suppressants; Uricosuric Agents; Musculo-Skeletal System; Preparations Increasing Uric Acid Excretion; | For use in combination with a xanthine oxidase inhibitor; for the treatment of hyperuricemia associated with gout in patients who have not achieved target serum uric acid levels with a xanthine oxidase inhibitor alone. |
| FDBD01962 | copper oleate |
|
Insecticide | Insecticide |
| FDBD02099 | malathion |
|
Insecticide | Insecticide |
| FDBD02195 | butonate |
|
Insecticide | Insecticide |
| FDBD02242 | brofenvalerate |
|
Insecticide | Insecticide |
200 ,
21
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ps1_ligand_frag_15.mol2 | 4ps1 | 1 | -5.96 | CC(=O)O | 4 |
| 1hyo_ligand_frag_0.mol2 | 1hyo | 1 | -5.95 | O=C(O)C | 4 |
| 2c1q_ligand_frag_0.mol2 | 2c1q | 1 | -5.95 | C(=O)(O)C | 4 |
| 2qbr_ligand_frag_3.mol2 | 2qbr | 1 | -5.95 | CC(=O)O | 4 |
| 2v25_ligand_frag_1.mol2 | 2v25 | 1 | -5.95 | CC(=O)O | 4 |
| 3gjt_ligand_frag_12.mol2 | 3gjt | 1 | -5.94 | CC(=O)O | 4 |
| 1f1j_ligand_frag_13.mol2 | 1f1j | 1 | -5.93 | CC(=O)O | 4 |
| 2h4k_ligand_frag_3.mol2 | 2h4k | 1 | -5.93 | CC(=O)O | 4 |
| 2qbp_ligand_frag_3.mol2 | 2qbp | 1 | -5.93 | CC(=O)O | 4 |
| 2ql9_ligand_frag_14.mol2 | 2ql9 | 1 | -5.93 | CC(=O)O | 4 |
1717 ,
172
