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 |
|---|---|---|---|---|
| FDBD02607 | fenoxasulfone |
|
Herbicide | Herbicide |
| FDBD02614 | 2,4-DEB |
|
Herbicide | Herbicide |
| FDBD02615 | difenopenten |
|
Herbicide | Herbicide |
| FDBD02616 | disul |
|
Herbicide | Herbicide |
| FDBD02617 | erbon |
|
Herbicide | Herbicide |
| FDBD02618 | fenteracol |
|
Herbicide | Herbicide |
| FDBD02619 | trifopsime |
|
Herbicide | Herbicide |
| FDBD02626 | 4-CPB |
|
Herbicide | Herbicide |
| FDBD02627 | 2,4-DB |
|
Herbicide | Herbicide |
| FDBD02628 | 3,4-DB |
|
Herbicide | Herbicide |
429 ,
43
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ak6_ligand_1_2.mol2 | 5ak6 | 1 | -5.59 | C(O)C | 3 |
| 2bks_ligand_1_12.mol2 | 2bks | 1 | -5.58 | C(O)C | 3 |
| 2chm_ligand_frag_7.mol2 | 2chm | 1 | -5.58 | C(O)C | 3 |
| 2q6b_ligand_1_6.mol2 | 2q6b | 1 | -5.58 | CCO | 3 |
| 2q6c_ligand_1_6.mol2 | 2q6c | 1 | -5.58 | CCO | 3 |
| 3cda_ligand_1_7.mol2 | 3cda | 1 | -5.58 | CCO | 3 |
| 3cdb_ligand_1_4.mol2 | 3cdb | 1 | -5.58 | CCO | 3 |
2270 ,
228
