Common name
methanediol
IUPAC name
methanediol
SMILES
C(O)O
Common name
methanediol
IUPAC name
methanediol
SMILES
C(O)O
INCHI
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2
FORMULA
CH4O2
Common name
methanediol
IUPAC name
methanediol
Molecular weight
48.041
clogP
-0.542
clogS
1.083
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01227 | Chloral hydrate |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Aldehydes and Derivatives; | Mainly used as a hyponotic in the treatment of insomnia; however, it is only effective as a hypnotic for short-term use. May be used as a routine sedative preoperatively to decrease anxiety and cause sedation and/or sleep with respiration depression or cough reflex. |
| FDBD02388 | etobenzanid |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h06_ligand_frag_3.mol2 | 3h06 | 1 | -5.30 | C(O)O | 3 |
| 1n7m_ligand_frag_3.mol2 | 1n7m | 1 | -4.92 | C(O)O | 3 |
| 1njs_ligand_frag_5.mol2 | 1njs | 0.5 | -5.76 | CC(O)O | 4 |
| 3jzb_ligand_1_3.mol2 | 3jzb | 0.5 | -5.76 | C(O)(O)C | 4 |
| 2wf4_ligand_frag_1.mol2 | 2wf4 | 0.5 | -5.75 | CC(O)O | 4 |
268 ,
27
