Common name
benzene-1,2-diol
IUPAC name
benzene-1,2-diol
SMILES
c1cc(c(cc1)O)O
Common name
benzene-1,2-diol
IUPAC name
benzene-1,2-diol
SMILES
c1cc(c(cc1)O)O
INCHI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
FORMULA
C6H6O2
Common name
benzene-1,2-diol
IUPAC name
benzene-1,2-diol
Molecular weight
110.111
clogP
0.942
clogS
-0.579
Frequency
0.0079
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01732 | Viloxazine |
|
Antidepressive Agents, Second-Generation; Adrenergic Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; | For the treatment of clinical depression. |
| FDBD02807 | ethoxysulfuron |
|
Herbicide | Herbicide |
| FDBD03154 | phenylmercury derivative of pyrocatechol |
|
Fungicide | Fungicide |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5auu_ligand_frag_1.mol2 | 5auu | 1 | -6.96 | c1cc(c(cc1)O)O | 8 |
| 5auw_ligand_frag_1.mol2 | 5auw | 1 | -6.93 | c1ccc(c(c1)O)O | 8 |
| 4dgn_ligand_frag_1.mol2 | 4dgn | 1 | -6.81 | c1cc(c(cc1)O)O | 8 |
| 4dgo_ligand_frag_2.mol2 | 4dgo | 1 | -6.81 | c1cc(c(cc1)O)O | 8 |
| 4qkx_ligand_frag_0.mol2 | 4qkx | 1 | -6.74 | c1c(c(ccc1)O)O | 8 |
| 3hvi_ligand_frag_1.mol2 | 3hvi | 1 | -6.72 | c1ccc(c(c1)O)O | 8 |
1217 ,
122
