Common name
ethyl propanoate
IUPAC name
ethyl propanoate
SMILES
C(C)C(=O)OCC
Common name
ethyl propanoate
IUPAC name
ethyl propanoate
SMILES
C(C)C(=O)OCC
INCHI
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
FORMULA
C5H10O2
Common name
ethyl propanoate
IUPAC name
ethyl propanoate
Molecular weight
102.132
clogP
0.671
clogS
-1.078
Frequency
0.0086
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01867 | benfuracarb |
|
Insecticide | Insecticide |
| FDBD01878 | alanycarb |
|
Insecticide | Insecticide |
| FDBD02056 | kelevan |
|
Insecticide | Insecticide |
| FDBD02099 | malathion |
|
Insecticide | Insecticide |
| FDBD02652 | propaquizafop |
|
Herbicide | Herbicide |
25 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k42_ligand_1_13.mol2 | 4k42 | 0.882353 | -5.59 | C(OC(=O)C)CC | 7 |
| 4k42_ligand_1_14.mol2 | 4k42 | 0.882353 | -5.49 | C(C)COC(=O)C | 7 |
| 4gd6_ligand_2_6.mol2 | 4gd6 | 0.882353 | -5.38 | CC(=O)OCCC | 7 |
| 4mbf_ligand_2_24.mol2 | 4mbf | 0.882353 | -5.34 | C(C)COC(=O)C | 7 |
| 1o9e_ligand_1_1.mol2 | 1o9e | 0.882353 | -5.30 | C(OC(=O)C)CC | 7 |
107 ,
11
