Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
INCHI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FORMULA
C3H6O2
Common name
propionic acid
IUPAC name
propionic acid
Molecular weight
74.079
clogP
-0.220
clogS
0.088
Frequency
0.0395
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01742 | Loxoprofen |
|
; | |
| FDBD01743 | Dexibuprofen |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Propionic Acid Derivatives; | |
| FDBD01744 | Dexketoprofen |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Propionic Acid Derivatives; | For short-term treatment of mild to moderate pain, including dysmenorrhoea. |
| FDBD01750 | Polaprezinc |
|
; | |
| FDBD01775 | Artesunate |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Artemisinin and Derivatives, Plain; | For the treatment of severe malaria. |
| 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; | |
| 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). |
| FDBD01962 | copper oleate |
|
Insecticide | Insecticide |
115 ,
12
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v77_ligand_2_5.mol2 | 2v77 | 1 | -6.37 | C(C(=O)O)(C)C | 6 |
| 4euo_ligand_1_1.mol2 | 4euo | 1 | -6.32 | CCC(=O)O | 5 |
| 4nwc_ligand_2_3.mol2 | 4nwc | 1 | -6.30 | CC(C(=O)O)C | 6 |
| 3bhx_ligand_2_12.mol2 | 3bhx | 1 | -6.29 | CC(C(=O)O)C | 6 |
| 2c6c_ligand_2_5.mol2 | 2c6c | 1 | -6.27 | CC(C(=O)O)C | 6 |
| 3bi0_ligand_2_17.mol2 | 3bi0 | 1 | -6.27 | CC(C)C(=O)O | 6 |
| 3bi1_ligand_2_60.mol2 | 3bi1 | 1 | -6.26 | CC(C(=O)O)C | 6 |
| 3ip9_ligand_1_1.mol2 | 3ip9 | 1 | -6.25 | CCC(=O)O | 5 |
1188 ,
119
