Common name
benzene
IUPAC name
benzene
SMILES
c1ccccc1
Common name
benzene
IUPAC name
benzene
SMILES
c1ccccc1
INCHI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
FORMULA
C6H6
Common name
benzene
IUPAC name
benzene
Molecular weight
78.112
clogP
2.116
clogS
-1.364
Frequency
0.2824
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03262 | propamidine |
|
Fungicide | Fungicide |
| FDBD03265 | sodium orthophenylphenoxide |
|
Fungicide | Fungicide |
822 ,
83
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_frag_8.mol2 | 3chs | 1 | -6.75 | c1ccccc1 | 6 |
| 3fi2_ligand_frag_2.mol2 | 3fi2 | 1 | -6.75 | c1ccccc1 | 6 |
| 3huc_ligand_frag_0.mol2 | 3huc | 1 | -6.75 | c1ccccc1 | 6 |
| 4f1l_ligand_frag_1.mol2 | 4f1l | 1 | -6.75 | c1ccccc1 | 6 |
| 4l2l_ligand_frag_0.mol2 | 4l2l | 1 | -6.75 | c1ccccc1 | 6 |
| 1a0q_ligand_frag_4.mol2 | 1a0q | 1 | -6.74 | c1ccccc1 | 6 |
| 2i80_ligand_frag_1.mol2 | 2i80 | 1 | -6.74 | c1ccccc1 | 6 |
| 3fui_ligand_frag_3.mol2 | 3fui | 1 | -6.74 | c1ccccc1 | 6 |
| 3gen_ligand_frag_4.mol2 | 3gen | 1 | -6.74 | c1ccccc1 | 6 |
5255 ,
526
