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 |
|---|---|---|---|---|
| FDBD02468 | lancotrione |
|
Herbicide | Herbicide |
| FDBD02474 | ethofumesate |
|
Herbicide | Herbicide |
| FDBD02500 | tolpyralate |
|
Herbicide | Herbicide |
| FDBD02506 | profoxydim |
|
Herbicide | Herbicide |
| FDBD02516 | flumipropyn |
|
Herbicide | Herbicide |
| FDBD02536 | etinofen |
|
Herbicide | Herbicide |
| FDBD02552 | oxyfluorfen |
|
Herbicide | Herbicide |
| FDBD02588 | amiprophos |
|
Herbicide | Herbicide |
| FDBD02592 | butamifos |
|
Herbicide | Herbicide |
| FDBD02594 | 2,4-DEP |
|
Herbicide | Herbicide |
429 ,
43
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2reg_ligand_1_0.mol2 | 2reg | 1 | -5.87 | C(O)C | 3 |
| 3c2u_ligand_1_4.mol2 | 3c2u | 1 | -5.81 | CCO | 3 |
| 3aje_ligand_frag_1.mol2 | 3aje | 1 | -5.79 | C(O)C | 3 |
| 4bt4_ligand_frag_1.mol2 | 4bt4 | 1 | -5.74 | C(O)C | 3 |
| 4bt5_ligand_frag_1.mol2 | 4bt5 | 1 | -5.74 | C(O)C | 3 |
| 4hwp_ligand_frag_0.mol2 | 4hwp | 1 | -5.74 | CCO | 3 |
| 3c2u_ligand_1_3.mol2 | 3c2u | 1 | -5.72 | CCO | 3 |
| 4hwr_ligand_frag_2.mol2 | 4hwr | 1 | -5.72 | C(O)C | 3 |
| 4hwo_ligand_frag_2.mol2 | 4hwo | 1 | -5.71 | C(O)C | 3 |
2270 ,
228
