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_4.mol2 | 3chs | 1 | -6.78 | c1ccccc1 | 6 |
| 3fh5_ligand_frag_0.mol2 | 3fh5 | 1 | -6.78 | c1ccccc1 | 6 |
| 3fu6_ligand_frag_0.mol2 | 3fu6 | 1 | -6.78 | c1ccccc1 | 6 |
| 4l2l_ligand_frag_2.mol2 | 4l2l | 1 | -6.78 | c1ccccc1 | 6 |
| 4m3g_ligand_frag_1.mol2 | 4m3g | 1 | -6.78 | c1ccccc1 | 6 |
| 3chp_ligand_frag_0.mol2 | 3chp | 1 | -6.77 | c1ccccc1 | 6 |
| 3fty_ligand_frag_3.mol2 | 3fty | 1 | -6.77 | c1ccccc1 | 6 |
| 3mss_ligand_frag_5.mol2 | 3mss | 1 | -6.77 | c1ccccc1 | 6 |
5255 ,
526
