Common name
methyl acetate
IUPAC name
methyl acetate
SMILES
O(C(=O)C)C
Common name
methyl acetate
IUPAC name
methyl acetate
SMILES
O(C(=O)C)C
INCHI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
FORMULA
C3H6O2
Common name
methyl acetate
IUPAC name
methyl acetate
Molecular weight
74.079
clogP
-0.072
clogS
-0.209
Frequency
0.0151
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00899 | Fluocinonide |
|
Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; Corticosteroids; Dermatologicals; Cardiovascular System; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; | A topical anti-inflammatory product for the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD00987 | Cefapirin |
|
Anti-Bacterial Agents; Cephalosporins; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Antiinfectives and Antiseptics for Intrauterine Use; First-Generation Cephalosporins; Antibacterials; | For treatment of infections caused by susceptible bacteria. |
| FDBD01072 | Levomethadyl Acetate |
|
Analgesics, Opioid; Narcotics; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Opioid Dependence; CYP3A4 Inhibitors; | For the treatment and management of opiate dependence. It is sometimes used to treat severe pain in terminal patients. |
| FDBD01168 | Cortisone acetate |
|
Immunosuppressive Agents; Corticosteroids; CYP3A4 Inhibitors; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also used to treat endocrine (hormonal) disorders (adrenal insufficiency, Addisons disease). It is also used to treat many immune and allergic disorders. |
| FDBD01190 | Cefacetrile |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; First-Generation Cephalosporins; | Cefacetrile is a broad-spectrum first generation cephalosporin antibiotic effective in Gram-positive and Gram-negative bacterial infections. |
| FDBD01207 | Methadyl Acetate |
|
Analgesics, Opioid; Narcotics; | Used mainly in the treatment of narcotic dependence. |
| FDBD01293 | Acetylcholine |
|
Vasodilator Agents; Parasympathomimetics; Cholinergic Agonists; Cholinergic Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Used to obtain miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required. |
| FDBD01335 | Homoharringtonine |
|
Used in patients who are intolerant and/or resistant to two or more tyrosine kinase inhibitors used to treat accelerated or chronic phase CML. | |
| FDBD01348 | Clevidipine |
|
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of hypertension. |
| FDBD01398 | Hexaminolevulinate |
|
; | Hexaminolevulinate is indicated for use in the cystoscopic detection of non-muscle invasive papillary cancer of the bladder among patients suspected or known to have lesion(s) on the basis of a prior cystoscopy. |
44 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kot_ligand_frag_3.mol2 | 4kot | 1 | -5.74 | COC(=O)C | 5 |
| 4kox_ligand_frag_1.mol2 | 4kox | 1 | -5.74 | COC(=O)C | 5 |
| 2rin_ligand_frag_2.mol2 | 2rin | 1 | -5.70 | COC(=O)C | 5 |
| 1p6d_ligand_1_6.mol2 | 1p6d | 1 | -5.69 | COC(=O)C | 5 |
| 1p6e_ligand_1_5.mol2 | 1p6e | 1 | -5.62 | COC(=O)C | 5 |
| 4nwc_ligand_frag_4.mol2 | 4nwc | 1 | -5.61 | CC(=O)OC | 5 |
| 2xz5_ligand_frag_2.mol2 | 2xz5 | 1 | -5.60 | COC(=O)C | 5 |
| 3e3c_ligand_1_4.mol2 | 3e3c | 1 | -5.56 | COC(=O)C | 5 |
| 3is9_ligand_1_8.mol2 | 3is9 | 1 | -5.55 | CC(=O)OC | 5 |
139 ,
14
