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 |
|---|---|---|---|---|
| FDBD00035 | Phosphatidylserine |
|
Dietary Supplements; Micronutrients; Supplements; | Phosphatidylserine has demonstrated some usefulness in treating cognitive impairment, including Alzheimer's disease, age-associated memory impairment and some non-Alzheimer's dementias. More research is needed before phosphatidylserine can be indicated for immune enhancement or for reduction of exercise stress. |
| FDBD00057 | Aspartame |
|
Sweetening Agents; Dietary Supplements; Micronutrients; Supplements; | Used as a diet supplement and sugar substitute. |
| FDBD00076 | Esmolol |
|
Adrenergic beta-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | For the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Also used in noncompensatory sinus tachycardia where the rapid heart rate requires specific intervention. |
| FDBD00090 | Succinylcholine |
|
Neuromuscular Depolarizing Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants; Choline Derivatives; Muscle Relaxants, Peripherally Acting Agents; | Used in surgical procedures where a rapid onset and brief duration of muscle relaxation is needed (includes intubation, endoscopies, and ECT). |
| FDBD00175 | Amcinonide |
|
Glucocorticoids; Corticosteroids; Dermatologicals; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD00266 | Valrubicin |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; | For the treatment of cancer of the bladder. |
| FDBD00299 | Methylphenidate |
|
Central Nervous System Stimulants; Dopamine Uptake Inhibitors; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an integral part of a total treatment program which typically includes other remedial measures (psychological, educational, social) for a stabilizing effect in children with a behavioral syndrome characterized by the following group of developmentally inappropriate symptoms: moderate-to-severe distractibility, short attention span, hyperactivity, emotional lability, and impulsivity. |
| FDBD00303 | Famciclovir |
|
Antiviral Agents; Prodrugs; Nucleic Acids, Nucleotides, and Nucleosides; Ophthalmologicals; Sensory Organs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; Antiinfectives; CYP3A4 Inhibitors; | For the treatment of acute herpes zoster (shingles). Also for the treatment or suppression of recurrent genital herpes in immunocompetent patients and treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients. |
| FDBD00331 | Cefalotin |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; First-Generation Cephalosporins; | Used to prevent infection during surgery and to treat many kinds of infections of the blood, bone or joints, respiratory tract, skin, and urinary tract. |
| FDBD00335 | Verteporfin |
|
Photosensitizing Agents; Antineovascularisation Agents; Ophthalmologicals; Sensory Organs; Ocular Vascular Disorder Agents; | For the treatment of patients with predominantly classic subfoveal choroidal neovascularization due to age-related macular degeneration, pathologic myopia or presumed ocular histoplasmosis syndrome. Verteporfin can also be used to destroy tumors. |
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
