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 |
|---|---|---|---|---|
| FDBD02982 | jiaxiangjunzhi |
|
Fungicide | Fungicide |
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
| FDBD02984 | pyraoxystrobin |
|
Fungicide | Fungicide |
| FDBD02985 | pyraclostrobin |
|
Fungicide | Fungicide |
| FDBD02986 | pyrametostrobin |
|
Fungicide | Fungicide |
| FDBD02987 | triclopyricarb |
|
Fungicide | Fungicide |
| FDBD02988 | kresoxim-methyl |
|
Fungicide | Fungicide |
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
| FDBD02990 | biphenyl |
|
Fungicide | Fungicide |
| FDBD03017 | furophanate |
|
Fungicide | Fungicide |
822 ,
83
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p2a_ligand_frag_2.mol2 | 2p2a | 1 | -6.84 | c1ccccc1 | 6 |
| 2vj8_ligand_frag_0.mol2 | 2vj8 | 1 | -6.84 | c1ccccc1 | 6 |
| 3bc5_ligand_frag_6.mol2 | 3bc5 | 1 | -6.84 | c1ccccc1 | 6 |
| 4oyb_ligand_frag_1.mol2 | 4oyb | 1 | -6.84 | c1ccccc1 | 6 |
| 4w57_ligand_frag_0.mol2 | 4w57 | 1 | -6.84 | c1ccccc1 | 6 |
| 1fm9_ligand_frag_6.mol2 | 1fm9 | 1 | -6.83 | c1ccccc1 | 6 |
| 2bkt_ligand_frag_1.mol2 | 2bkt | 1 | -6.83 | c1ccccc1 | 6 |
| 3fhe_ligand_frag_2.mol2 | 3fhe | 1 | -6.83 | c1ccccc1 | 6 |
| 5aen_ligand_frag_2.mol2 | 5aen | 1 | -6.83 | c1ccccc1 | 6 |
5255 ,
526
