Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
INCHI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FORMULA
C2H4O2
Common name
acetic acid
IUPAC name
acetic acid
Molecular weight
60.052
clogP
-0.484
clogS
0.534
Frequency
0.0687
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02852 | chlorfenac |
|
Herbicide | Herbicide |
| FDBD02869 | fluthiacet |
|
Herbicide | Herbicide |
| FDBD02878 | pelargonic acid |
|
Herbicide | Herbicide |
| FDBD02881 | phenylmercury acetate |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
| FDBD03139 | ethylmercury acetate |
|
Fungicide | Fungicide |
| FDBD03152 | phenylmercury acetate |
|
Fungicide | Fungicide |
| FDBD03158 | tolylmercury acetate |
|
Fungicide | Fungicide |
| FDBD03249 | fenitropan |
|
Fungicide | Fungicide |
| FDBD03258 | pentachlorophenyl laurate |
|
Fungicide | Fungicide |
200 ,
21
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oyg_ligand_frag_1.mol2 | 4oyg | 1 | -5.93 | CC(=O)O | 4 |
| 4qfn_ligand_frag_2.mol2 | 4qfn | 1 | -5.93 | CC(=O)O | 4 |
| 1i8j_ligand_frag_0.mol2 | 1i8j | 1 | -5.92 | CC(=O)O | 4 |
| 1l6s_ligand_frag_0.mol2 | 1l6s | 1 | -5.92 | CC(=O)O | 4 |
| 2azr_ligand_frag_2.mol2 | 2azr | 1 | -5.92 | CC(=O)O | 4 |
| 1ahx_ligand_frag_0.mol2 | 1ahx | 1 | -5.91 | C(=O)(O)C | 4 |
| 1g7g_ligand_frag_12.mol2 | 1g7g | 1 | -5.91 | CC(=O)O | 4 |
| 1l6y_ligand_frag_3.mol2 | 1l6y | 1 | -5.91 | CC(=O)O | 4 |
| 1rww_ligand_frag_0.mol2 | 1rww | 1 | -5.91 | O=C(O)C | 4 |
1717 ,
172
