Common name
ethyl formate
IUPAC name
ethyl formate
SMILES
O(C=O)CC
Common name
ethyl formate
IUPAC name
ethyl formate
SMILES
O(C=O)CC
INCHI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
FORMULA
C3H6O2
Common name
ethyl formate
IUPAC name
ethyl formate
Molecular weight
74.079
clogP
0.082
clogS
-0.227
Frequency
0.0244
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
2
| 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. |
| FDBD00067 | Ramipril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the management of mild to severe hypertension. May be used to reduce cardiovascular mortality following myocardial infarction in hemodynamically stable individuals who develop clinical signs of congestive heart failure within a few days following myocardial infarction. To reduce the rate of death, myocardial infarction and stroke in individuals at high risk of cardiovascular events. May be used to slow the progression of renal disease in individuals with hypertension, diabetes mellitus and microalubinuria or overt nephropathy. |
| 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). |
| FDBD00107 | Oxyphenonium |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of visceral spasms. |
| FDBD00179 | Etomidate |
|
Hypnotics and Sedatives; Anesthetics, Intravenous; Anesthetics; Nervous System; Anesthetics, General; Alpha2 Agonists; | Used in the induction of general anesthesia. |
| FDBD00329 | Pethidine |
|
Analgesics; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Adjuvants; Nervous System; Opioids; Phenylpiperidine Derivatives; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used to control moderate to severe pain. |
| FDBD00346 | Hexylcaine |
|
Anesthetics, Local; | Used as a local anesthetic for surface application, infiltration or nerve block. |
| FDBD00389 | Trandolapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure (CHF), to improve survival following myocardial infarction (MI) in individuals who are hemodynamically stable and demonstrate symptoms of left ventricular systolic dysfunction or signs of CHF within a few days following acute MI, and to slow progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00409 | Benazepril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension. It may be used alone or in combination with thiazide diuretics. |
| FDBD00443 | Valaciclovir |
|
Antiviral Agents; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals. |
71 ,
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| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ntj_ligand_frag_1.mol2 | 4ntj | 1 | -5.64 | O=COCC | 5 |
| 1p6d_ligand_1_5.mol2 | 1p6d | 1 | -5.60 | C(OC=O)C | 5 |
| 1p6e_ligand_1_4.mol2 | 1p6e | 1 | -5.59 | CCOC=O | 5 |
| 1p6d_ligand_1_4.mol2 | 1p6d | 1 | -5.51 | C(OC=O)C | 5 |
| 2nqg_ligand_frag_0.mol2 | 2nqg | 1 | -5.46 | CCOC=O | 5 |
| 2nqi_ligand_frag_0.mol2 | 2nqi | 1 | -5.46 | CCOC=O | 5 |
| 1p6e_ligand_1_3.mol2 | 1p6e | 1 | -5.44 | CCOC=O | 5 |
| 4tnw_ligand_1_3.mol2 | 4tnw | 1 | -5.42 | C(OC=O)C | 5 |
| 2qnz_ligand_1_7.mol2 | 2qnz | 1 | -5.41 | CCOC=O | 5 |
175 ,
18
