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 |
|---|---|---|---|---|---|
| 1p6d_ligand_4_1325.mol2 | 1p6d | 1 | -6.51 | C(OC(=O)CC)(C)C | 8 |
| 1p6e_ligand_4_671.mol2 | 1p6e | 1 | -6.42 | CC(C)OC(=O)CC | 8 |
| 1p6d_ligand_3_395.mol2 | 1p6d | 1 | -6.18 | C(OC(=O)CC)C | 7 |
| 1p6e_ligand_3_244.mol2 | 1p6e | 1 | -6.12 | CCOC(=O)CC | 7 |
| 1p6d_ligand_3_350.mol2 | 1p6d | 1 | -6.09 | C(OC(=O)CC)C | 7 |
| 4tnw_ligand_3_158.mol2 | 4tnw | 1 | -5.99 | CCC(=O)OCC | 7 |
| 1p6e_ligand_3_208.mol2 | 1p6e | 1 | -5.97 | CCOC(=O)CC | 7 |
| 5d1r_ligand_2_16.mol2 | 5d1r | 1 | -5.93 | C(=O)(OC(C)C)CC | 8 |
| 1uvu_ligand_2_2.mol2 | 1uvu | 1 | -5.63 | CCC(=O)OCC | 7 |
| 2alv_ligand_1_11.mol2 | 2alv | 1 | -5.54 | C(C)OC(=O)CC | 7 |
107 ,
11
