Common name
ethyl formate
IUPAC name
ethyl formate
SMILES
O(C=O)CC
Common name
ethyl formate
IUPAC name
ethyl formate
SMILES
O(C=O)CC
INCHI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
FORMULA
C3H6O2
Common name
ethyl formate
IUPAC name
ethyl formate
Molecular weight
74.079
clogP
0.082
clogS
-0.227
Frequency
0.0244
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
2
71 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ntj_ligand_frag_1.mol2 | 4ntj | 1 | -5.64 | O=COCC | 5 |
| 1p6d_ligand_1_5.mol2 | 1p6d | 1 | -5.60 | C(OC=O)C | 5 |
| 1p6e_ligand_1_4.mol2 | 1p6e | 1 | -5.59 | CCOC=O | 5 |
| 1p6d_ligand_1_4.mol2 | 1p6d | 1 | -5.51 | C(OC=O)C | 5 |
| 2nqg_ligand_frag_0.mol2 | 2nqg | 1 | -5.46 | CCOC=O | 5 |
| 2nqi_ligand_frag_0.mol2 | 2nqi | 1 | -5.46 | CCOC=O | 5 |
| 1p6e_ligand_1_3.mol2 | 1p6e | 1 | -5.44 | CCOC=O | 5 |
| 4tnw_ligand_1_3.mol2 | 4tnw | 1 | -5.42 | C(OC=O)C | 5 |
| 2qnz_ligand_1_7.mol2 | 2qnz | 1 | -5.41 | CCOC=O | 5 |
175 ,
18
