Common name
2-oxoethyl acetate
IUPAC name
2-oxoethyl acetate
SMILES
O=CCOC(=O)C
Common name
2-oxoethyl acetate
IUPAC name
2-oxoethyl acetate
SMILES
O=CCOC(=O)C
INCHI
InChI=1S/C4H6O3/c1-4(6)7-3-2-5/h2H,3H2,1H3
FORMULA
C4H6O3
Common name
2-oxoethyl acetate
IUPAC name
2-oxoethyl acetate
Molecular weight
102.089
clogP
0.132
clogS
-0.234
Frequency
0.0021
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 |
|---|---|---|---|---|
| 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. |
| FDBD00632 | Hydrocortamate |
|
Anti-Inflammatory Agents; Corticosteroids; CYP3A4 Inhibitors; | Used topically as an antiinflammatory in the treatment of steroid-responsive dermatoses. |
| FDBD00899 | Fluocinonide |
|
Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; Corticosteroids; Dermatologicals; Cardiovascular System; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; | A topical anti-inflammatory product for the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| FDBD01168 | Cortisone acetate |
|
Immunosuppressive Agents; Corticosteroids; CYP3A4 Inhibitors; | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also used to treat endocrine (hormonal) disorders (adrenal insufficiency, Addisons disease). It is also used to treat many immune and allergic disorders. |
| FDBD01478 | Difluprednate |
|
Anti-Inflammatory Agents; Glucocorticoids; Corticosteroids; Dermatologicals; Corticosteroids, Potent (Group III); Corticosteroids, Plain; Corticosteroids, Dermatological Preparations; | For the treatment of inflammation and pain associated with ocular surgery. |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rin_ligand_1_1.mol2 | 2rin | 0.733333 | -6.09 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_65.mol2 | 1p6d | 0.733333 | -6.02 | C(OC(=O)C)C | 6 |
| 1p6e_ligand_2_46.mol2 | 1p6e | 0.733333 | -5.98 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_55.mol2 | 1p6d | 0.733333 | -5.93 | C(OC(=O)C)C | 6 |
| 2xz5_ligand_1_1.mol2 | 2xz5 | 0.733333 | -5.89 | CCOC(=O)C | 6 |
| 1p6e_ligand_2_37.mol2 | 1p6e | 0.733333 | -5.83 | CCOC(=O)C | 6 |
| 4tnw_ligand_2_34.mol2 | 4tnw | 0.733333 | -5.80 | CC(=O)OCC | 6 |
| 2ha2_ligand_2_0.mol2 | 2ha2 | 0.733333 | -5.77 | CCOC(=O)C | 6 |
204 ,
21
