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 |
|---|---|---|---|---|---|
| 3cct_ligand_1_6.mol2 | 3cct | 1 | -5.65 | CCO | 3 |
| 4bt3_ligand_frag_1.mol2 | 4bt3 | 1 | -5.65 | C(O)C | 3 |
| 2wig_ligand_1_0.mol2 | 2wig | 1 | -5.64 | OCC | 3 |
| 2won_ligand_1_5.mol2 | 2won | 1 | -5.64 | C(O)C | 3 |
| 3cd5_ligand_1_4.mol2 | 3cd5 | 1 | -5.64 | C(O)C | 3 |
| 3chs_ligand_1_6.mol2 | 3chs | 1 | -5.64 | C(O)C | 3 |
| 4f7n_ligand_1_4.mol2 | 4f7n | 1 | -5.64 | C(O)C | 3 |
| 2r4f_ligand_1_5.mol2 | 2r4f | 1 | -5.63 | C(O)C | 3 |
| 3c1n_ligand_frag_1.mol2 | 3c1n | 1 | -5.63 | C(O)C | 3 |
2270 ,
228
