Common name
2-oxoethyl formate
IUPAC name
2-oxoethyl formate
SMILES
O=CCOC=O
Common name
2-oxoethyl formate
IUPAC name
2-oxoethyl formate
SMILES
O=CCOC=O
INCHI
InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2
FORMULA
C3H4O3
Common name
2-oxoethyl formate
IUPAC name
2-oxoethyl formate
Molecular weight
88.062
clogP
-0.022
clogS
0.179
Frequency
0.0017
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
43.37
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| FDBD00274 | Beclomethasone |
|
Used in the maintenance treatment of asthma as prophylactic therapy in patients 5 years of age and older, and in treating symptoms for allergic rhinitis (seasonal or perennial) in patients 12 years of age and older. Also being investigated for oral treatment in mild-to-moderate Crohn's disease of ileal or ileal-right colonic localisation and for ; | |
| FDBD00632 | Hydrocortamate |
|
Anti-Inflammatory Agents; Corticosteroids; CYP3A4 Inhibitors; | Used topically as an antiinflammatory in the treatment of steroid-responsive dermatoses. |
| FDBD00979 | Prednicarbate |
|
Anti-Inflammatory Agents; Corticosteroids; Steroids; Dermatologicals; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD01186 | Ciclesonide |
|
Anti-Allergic Agents; Glucocorticoids; Corticosteroids; Respiratory System; Drugs for Obstructive Airway Diseases; Nasal Preparations; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of nasal symptoms associated with seasonal and perennial allergic rhinitis in adults and adolescents 12 years of age and older. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rin_ligand_1_1.mol2 | 2rin | 0.714286 | -6.09 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_65.mol2 | 1p6d | 0.714286 | -6.02 | C(OC(=O)C)C | 6 |
| 1p6e_ligand_2_46.mol2 | 1p6e | 0.714286 | -5.98 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_55.mol2 | 1p6d | 0.714286 | -5.93 | C(OC(=O)C)C | 6 |
| 2xz5_ligand_1_1.mol2 | 2xz5 | 0.714286 | -5.89 | CCOC(=O)C | 6 |
| 1p6e_ligand_2_37.mol2 | 1p6e | 0.714286 | -5.83 | CCOC(=O)C | 6 |
| 4tnw_ligand_2_34.mol2 | 4tnw | 0.714286 | -5.80 | CC(=O)OCC | 6 |
| 2ha2_ligand_2_0.mol2 | 2ha2 | 0.714286 | -5.77 | CCOC(=O)C | 6 |
173 ,
18
