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 |
|---|---|---|---|---|---|
| 1mh5_ligand_frag_0.mol2 | 1mh5 | 1 | -6.87 | c1ccccc1 | 6 |
| 3ipq_ligand_frag_13.mol2 | 3ipq | 1 | -6.87 | c1ccccc1 | 6 |
| 1rt2_ligand_frag_0.mol2 | 1rt2 | 1 | -6.86 | c1ccccc1 | 6 |
| 4oyi_ligand_frag_1.mol2 | 4oyi | 1 | -6.86 | c1ccccc1 | 6 |
| 3di6_ligand_frag_0.mol2 | 3di6 | 1 | -6.85 | c1ccccc1 | 6 |
| 4lar_ligand_frag_2.mol2 | 4lar | 1 | -6.85 | c1ccccc1 | 6 |
| 186l_ligand_frag_0.mol2 | 186l | 1 | -6.84 | c1ccccc1 | 6 |
| 1pq6_ligand_frag_12.mol2 | 1pq6 | 1 | -6.84 | c1ccccc1 | 6 |
5255 ,
526
