Responsive image

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

Responsive image

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 Polar
Surface Area

37.3

Number of Rings

0

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00927 Atorvastatin Responsive image Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Dipeptidyl-Peptidase IV Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
FDBD00930 Vigabatrin Responsive image Enzyme Inhibitors; Anticonvulsants; GABA Agents; Nervous System; Antiepileptics; Fatty Acid Derivatives; For use as an adjunct in treatment resistant epilepsy, refractory complex partial seizures, and secondary generalized seizures. It is also used as monotherapy in infantile spasms in West syndrome.
FDBD00938 Iloprost Responsive image Platelet Aggregation Inhibitors; Vasodilator Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Used for the treatment of pulmonary arterial hypertension.
FDBD00945 Fluvastatin Responsive image Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; To be used as an adjunct to dietary therapy to prevent cardiovascular events. May be used as secondary prevention in patients with coronary heart disease (CHD) to reduce the risk of requiring coronary revascularization procedures, for reducing progression of coronary atherosclerosis in hypercholesterolemic patients with CHD, and for the treatment of primary hypercholesterolemia and mixed dyslidipidemia.
FDBD00948 Rosuvastatin Responsive image Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial), mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore, it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease.
FDBD00983 Doxacurium chloride Responsive image Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; Used to provide skeletal muscle relaxation as an adjunct to general anesthesia, for endotracheal intubation or to facilitate mechanical ventilation.
FDBD01007 Dinoprost Tromethamine Responsive image Oxytocics; Abortifacient Agents, Nonsteroidal; Angiography; Stimulants, Uterine; Tromethamine; Used for aborting second-trimester pregnancy (between the twelfth to eighteenth week of gestation) and in incomplete abortion or for therapeutic abortion in cases of intrauterine fetal death and congenital abnormalities incompatible with life. Also used at low-doses for medically indicated induction of labor at term. Also injected intra-arterially for use as a vasodilator to assist in angiography.
FDBD01047 Rifapentine Responsive image Leprostatic Agents; Antibiotics, Antitubercular; Antibiotics; Antimycobacterials; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the treatment of pulmonary tuberculosis.
FDBD01053 Ridogrel Responsive image Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.
FDBD01066 Rifaximin Responsive image Gastrointestinal Agents; Nucleic Acid Synthesis Inhibitors; Anti-Infective Agents; Antibiotics; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antiinfectives for Systemic Use; Dermatologicals; Antibacterials for Intramammary Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antibiotics for Topical Use; Antiinfectives and Antiseptics for Intrauterine Use; Intestinal Antiinfectives; Antibacterials; CYP3A4 Inhibitors; Rifaximin has multiple indications by the FDA: for the treatment of patients (
200 , 21
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2woq_ligand_frag_4.mol2 2woq 1 -6.05 CC(=O)O 4
1r9l_ligand_frag_1.mol2 1r9l 1 -6.04 CC(=O)O 4
4euo_ligand_frag_2.mol2 4euo 1 -6.04 CC(=O)O 4
2nt7_ligand_frag_3.mol2 2nt7 1 -6.02 CC(=O)O 4
2b4l_ligand_frag_1.mol2 2b4l 1 -6.00 CC(=O)O 4
1d6s_ligand_frag_1.mol2 1d6s 1 -5.99 CC(=O)O 4
1ibc_ligand_frag_15.mol2 1ibc 1 -5.99 CC(=O)O 4
1nms_ligand_frag_2.mol2 1nms 1 -5.99 CC(=O)O 4
2vl1_ligand_frag_2.mol2 2vl1 1 -5.99 CC(=O)O 4
1717 , 172