Common name
ethyl acetate
IUPAC name
ethyl acetate
SMILES
O(C(=O)C)CC
Common name
ethyl acetate
IUPAC name
ethyl acetate
SMILES
O(C(=O)C)CC
INCHI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
FORMULA
C4H8O2
Common name
ethyl acetate
IUPAC name
ethyl acetate
Molecular weight
88.105
clogP
0.282
clogS
-0.647
Frequency
0.0127
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 |
|---|---|---|---|---|
| FDBD02079 | acethion |
|
Insecticide | Insecticide |
| FDBD02080 | acetophos |
|
Insecticide | Insecticide |
| FDBD02099 | malathion |
|
Insecticide | Insecticide |
| FDBD02101 | methylacetophos |
|
Insecticide | Insecticide |
| FDBD02350 | triazamate |
|
Insecticide | Insecticide |
| FDBD02593 | clacyfos |
|
Herbicide | Herbicide |
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
37 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rin_ligand_1_1.mol2 | 2rin | 1 | -6.09 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_65.mol2 | 1p6d | 1 | -6.02 | C(OC(=O)C)C | 6 |
| 1p6e_ligand_2_46.mol2 | 1p6e | 1 | -5.98 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_55.mol2 | 1p6d | 1 | -5.93 | C(OC(=O)C)C | 6 |
| 2xz5_ligand_1_1.mol2 | 2xz5 | 1 | -5.89 | CCOC(=O)C | 6 |
| 1p6e_ligand_2_37.mol2 | 1p6e | 1 | -5.83 | CCOC(=O)C | 6 |
| 4tnw_ligand_2_34.mol2 | 4tnw | 1 | -5.80 | CC(=O)OCC | 6 |
| 2ha2_ligand_2_0.mol2 | 2ha2 | 1 | -5.77 | CCOC(=O)C | 6 |
181 ,
19
