Common name
2-oxopropanoic acid
IUPAC name
2-oxopropanoic acid
SMILES
O=C(O)C(=O)C
Common name
2-oxopropanoic acid
IUPAC name
2-oxopropanoic acid
SMILES
O=C(O)C(=O)C
INCHI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
FORMULA
C3H4O3
Common name
2-oxopropanoic acid
IUPAC name
2-oxopropanoic acid
Molecular weight
88.062
clogP
-0.479
clogS
0.512
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00012 | Pyruvic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hzl_ligand.mol2 | 2hzl | 1 | -6.39 | C(=O)(O)C(=O)C | 7 |
| 2xzw_ligand_1_0.mol2 | 2xzw | 1 | -6.23 | CC(=O)C(=O)O | 6 |
| 4h7q_ligand_1_0.mol2 | 4h7q | 1 | -6.08 | C(=O)(O)C(=O)C | 6 |
| 5c5t_ligand_1_0.mol2 | 5c5t | 1 | -6.08 | CC(=O)C(=O)O | 6 |
| 4usi_ligand_1_0.mol2 | 4usi | 1 | -6.06 | CC(=O)C(=O)O | 6 |
| 1f74_ligand_1_0.mol2 | 1f74 | 1 | -5.89 | C(=O)(C(=O)C)O | 6 |
1278 ,
128
