Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
INCHI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
FORMULA
C6H6O
Common name
phenol
IUPAC name
phenol
Molecular weight
94.111
clogP
1.498
clogS
-0.975
Frequency
0.0897
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03265 | sodium orthophenylphenoxide |
|
Fungicide | Fungicide |
261 ,
27
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wr8_ligand_frag_0.mol2 | 4wr8 | 1 | -7.04 | c1(ccccc1)O | 7 |
| 4i7l_ligand_frag_0.mol2 | 4i7l | 1 | -7.03 | c1(ccccc1)O | 7 |
| 4i7l_ligand.mol2 | 4i7l | 1 | -7.03 | c1(ccccc1)O | 8 |
| 1mfi_ligand_frag_0.mol2 | 1mfi | 1 | -7.02 | c1ccc(cc1)O | 7 |
| 4wrb_ligand_frag_0.mol2 | 4wrb | 1 | -7.00 | c1(ccccc1)O | 7 |
| 1ljt_ligand_frag_3.mol2 | 1ljt | 1 | -6.98 | c1cc(ccc1)O | 7 |
| 2ra6_ligand_frag_1.mol2 | 2ra6 | 1 | -6.98 | c1ccc(cc1)O | 7 |
| 2ooz_ligand_frag_0.mol2 | 2ooz | 1 | -6.97 | c1(ccccc1)O | 7 |
| 1li2_ligand_frag_0.mol2 | 1li2 | 1 | -6.94 | c1(ccccc1)O | 7 |
1122 ,
113
