Common name
2-hydroxyacetic acid
IUPAC name
2-hydroxyacetic acid
SMILES
OCC(=O)O
Common name
2-hydroxyacetic acid
IUPAC name
2-hydroxyacetic acid
SMILES
OCC(=O)O
INCHI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
FORMULA
C2H4O3
Common name
2-hydroxyacetic acid
IUPAC name
2-hydroxyacetic acid
Molecular weight
76.051
clogP
-0.806
clogS
1.045
Frequency
0.0086
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00212 | Calcium Gluceptate |
|
Antihypermagnesemic Agents; Antihypocalcemic Agents; Supplements; Alimentary Tract and Metabolism; Calcium; Mineral Supplements; Electrolyte Solutions; | For treatment of mild hypocalcemia due to neonatal tetany, tetany due to parathyroid deficiency or vitamin D deficiency, and alkalosis, as prophylaxis of hypocalcemia during exchange transfusions, in the treatment of intestinal malabsorption, and to replenish electrolytes. |
| FDBD00226 | Cetirizine |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; | For the relief of symptoms associated with seasonal allergic rhinitis, perennial allergic rhinitis and the treatment of the uncomplicated skin manifestations of chronic idiopathic urticaria. |
| FDBD00256 | Treprostinil |
|
Antithrombins; Anticoagulants; Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For use as a continuous subcutaneous infusion or intravenous infusion (for those not able to tolerate a subcutaneous infusion) for the treatment of pulmonary arterial hypertension in patients with NYHA Class II-IV symptoms to diminish symptoms associated with exercise. |
| FDBD00589 | Homatropine Methylbromide |
|
Muscarinic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used in conjunction with antacids or histamine H2-receptor antagonists in the treatment of peptic ulcers, gastric ulcers and duodenal ulcers, to reduce further gastric acid secretion and delay gastric emptying. |
| FDBD00760 | Ethacrynic acid |
|
Enzyme Inhibitors; Diuretics; Cardiovascular System; High-Ceiling Diuretics; Aryloxyacetic Acid Derivatives; | For the treatment of high blood pressure and edema caused by diseases like congestive heart failure, liver failure, and kidney failure. |
| FDBD01306 | Gluconic Acid |
|
; | |
| FDBD01403 | Levocetirizine |
|
Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; CYP3A4 Inhibitors; | Levocetirizine is indicated for the relief of symptoms associated with allergic rhinitis (seasonal and perennial) in adults and children 6 years of age and older. |
| FDBD01411 | Ambrisentan |
|
Antihypertensive Agents; Cardiovascular System; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Ambrisentan is indicated for treatment of idiopathic (‘primary |
| FDBD01588 | Isoaminile |
|
Cough and Cold Preparations; Respiratory System; | |
| FDBD01688 | Calcium carbimide |
|
Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence; |
25 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kc7_ligand_frag_0.mol2 | 1kc7 | 1 | -5.83 | C(=O)(CO)O | 5 |
| 2dw7_ligand_frag_0.mol2 | 2dw7 | 1 | -5.79 | O=C(O)CO | 5 |
| 2nt7_ligand_1_3.mol2 | 2nt7 | 1 | -5.78 | C(C(=O)O)O | 5 |
| 2uyn_ligand_frag_1.mol2 | 2uyn | 1 | -5.78 | C(O)C(=O)O | 5 |
| 4hnc_ligand_frag_0.mol2 | 4hnc | 1 | -5.76 | C(O)C(=O)O | 5 |
| 2dw7_ligand_frag_1.mol2 | 2dw7 | 1 | -5.75 | C(O)C(=O)O | 5 |
| 2qbs_ligand_1_3.mol2 | 2qbs | 1 | -5.75 | OCC(=O)O | 5 |
168 ,
17
