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 |
|---|---|---|---|---|
| FDBD00661 | Tazarotene |
|
Dermatologic Agents; Keratolytic Agents; Teratogens; Prodrugs; Dermatologicals; Antipsoriatics for Topical Use; Antipsoriatics; Drugs for Keratoseborrheic Disorders, Topical Use (Atc Human: Antipsoriatics for Topical Use); Drugs for Keratoseborrheic Disorders (Atc Human: Antipsoriatics); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; | Used to treat psoriasis, acne and sun damaged skin (photodamage). |
| FDBD00666 | Dicyclomine |
|
For the treatment of functional bowel/irritable bowel syndrome | |
| FDBD00669 | Proparacaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics; | Used as a local (ophthalmic) anesthetic. |
| FDBD00741 | Quinapril |
|
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 and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD00770 | Anileridine |
|
Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; | For treatment and management of pain (systemic) and for use as an anesthesia adjunct. |
| FDBD00795 | Methantheline |
|
Muscarinic Antagonists; Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; H2 Antagonists; | For the treatment of peptic ulcer disease, irritable bowel syndrome, pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, and reflex neurogenic bladder in children. |
| FDBD00833 | Cyclopentolate |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Used mainly to produce mydriasis and cycloplegia for diagnostic purposes. |
| FDBD00931 | Diphenoxylate |
|
Analgesics, Opioid; Antidiarrheals; Antiperistaltic Agents; Alimentary Tract and Metabolism; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antipropulsives; | For as adjunctive therapy in the management of diarrhea. |
| FDBD00936 | Benzocaine |
|
Anesthetics, Local; Anesthetics; Respiratory System; Throat Preparations; Dermatologicals; Nervous System; Cardiovascular System; Anesthetics, General; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | For general use as a lubricant and topical anesthetic on esophagus, larynx, mouth, nasal cavity, rectum, respiratory tract or trachea, urinary tract, vagina. It is also used to suppress gag reflex. |
71 ,
8
| 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
