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 |
|---|---|---|---|---|
| FDBD00996 | Flavoxate |
|
Parasympatholytics; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; | For symptomatic relief of dysuria, urgency, nocturia, suprapubic pain, frequency and incontinence as may occur in cystitis, prostatitis, urethritis, urethrocystitis/urethrotrigonitis. |
| FDBD01008 | Chloroprocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia. |
| FDBD01033 | Iophendylate |
|
Contrast Media; | Iophendylate is used as a contrast agent to locate spinal tumors. |
| FDBD01051 | Flumazenil |
|
GABA Modulators; Antidotes; | For the complete or partial reversal of the sedative effects of benzodiazepines in cases where general anesthesia has been induced and/or maintained with benzodiazepines, and where sedation has been produced with benzodiazepines for diagnostic and therapeutic procedures. Also for the management of benzodiazepine overdose as an adjunct for appropriate supportive and symptomatic measures. |
| FDBD01144 | Cilazapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. |
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
| FDBD01221 | Ethyl loflazepate |
|
Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; | |
| FDBD01252 | Bacampicillin |
|
Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Beta-Lactam Antibacterials, Penicillins; Penicillins With Extended Spectrum; | For infections at the following sites: upper and lower respiratory tract; skin and soft tissue; urinary tract and acute uncomplicated gonococcal urethritis, when due to sensitive strains of the following organisms: Gram-positive: streptococci (including . |
| FDBD01260 | Valganciclovir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections. |
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
