Common name
ethanol
IUPAC name
ethanol
SMILES
CCO
Common name
ethanol
IUPAC name
ethanol
SMILES
CCO
INCHI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
FORMULA
C2H6O
Common name
ethanol
IUPAC name
ethanol
Molecular weight
46.068
clogP
-0.315
clogS
0.129
Frequency
0.1474
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03095 | ditalimfos |
|
Fungicide | Fungicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
| FDBD03174 | kejunlin |
|
Fungicide | Fungicide |
| FDBD03176 | pyrazophos |
|
Fungicide | Fungicide |
| FDBD03210 | ethoxyquin |
|
Fungicide | Fungicide |
| FDBD03223 | etridiazole |
|
Fungicide | Fungicide |
| FDBD03231 | bitertanol |
|
Fungicide | Fungicide |
| FDBD03237 | polyoxorim-zinc |
|
Fungicide | Fungicide |
| FDBD03262 | propamidine |
|
Fungicide | Fungicide |
429 ,
43
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd0_ligand_1_6.mol2 | 3cd0 | 1 | -5.57 | C(O)C | 3 |
| 3cd7_ligand_1_5.mol2 | 3cd7 | 1 | -5.57 | C(O)C | 3 |
| 4bdt_ligand_1_1.mol2 | 4bdt | 1 | -5.57 | C(O)C | 3 |
| 4gj9_ligand_frag_2.mol2 | 4gj9 | 1 | -5.57 | C(O)C | 3 |
| 1esz_ligand_1_3.mol2 | 1esz | 1 | -5.56 | C(O)C | 3 |
| 2b8l_ligand_1_2.mol2 | 2b8l | 1 | -5.56 | C(O)C | 3 |
| 2bys_ligand_1_4.mol2 | 2bys | 1 | -5.56 | CCO | 3 |
| 2e1w_ligand_frag_2.mol2 | 2e1w | 1 | -5.56 | C(O)C | 3 |
2270 ,
228
