Common name
toluene
IUPAC name
toluene
SMILES
c1(ccccc1)C
Common name
toluene
IUPAC name
toluene
SMILES
c1(ccccc1)C
INCHI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
FORMULA
C7H8
Common name
toluene
IUPAC name
toluene
Molecular weight
92.138
clogP
2.443
clogS
-1.933
Frequency
0.1268
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 |
|---|---|---|---|---|
| FDBD02704 | methiobencarb |
|
Herbicide | Herbicide |
| FDBD02708 | prosulfocarb |
|
Herbicide | Herbicide |
| FDBD02712 | tiocarbazil |
|
Herbicide | Herbicide |
| FDBD02764 | benzfendizone |
|
Herbicide | Herbicide |
| FDBD02783 | daimuron |
|
Herbicide | Herbicide |
| FDBD02832 | prosulfuron |
|
Herbicide | Herbicide |
| FDBD02856 | cinmethylin |
|
Herbicide | Herbicide |
| FDBD02874 | methoxyphenone |
|
Herbicide | Herbicide |
| FDBD02901 | cyflufenamid |
|
Fungicide | Fungicide |
| FDBD02903 | dimoxystrobin |
|
Fungicide | Fungicide |
369 ,
37
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chr_ligand_1_6.mol2 | 3chr | 1 | -7.16 | Cc1ccccc1 | 7 |
| 3fh5_ligand_1_1.mol2 | 3fh5 | 1 | -7.16 | c1(ccccc1)C | 7 |
| 3fh8_ligand_1_4.mol2 | 3fh8 | 1 | -7.16 | Cc1ccccc1 | 7 |
| 3fhe_ligand_1_0.mol2 | 3fhe | 1 | -7.15 | c1ccccc1C | 7 |
| 3ipq_ligand_1_12.mol2 | 3ipq | 1 | -7.15 | Cc1ccccc1 | 7 |
| 4l2l_ligand_1_1.mol2 | 4l2l | 1 | -7.15 | c1(ccccc1)C | 7 |
2592 ,
260
