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 |
|---|---|---|---|---|
| FDBD02904 | fenaminstrobin |
|
Fungicide | Fungicide |
| FDBD02908 | isofetamid |
|
Fungicide | Fungicide |
| FDBD02910 | mandestrobin |
|
Fungicide | Fungicide |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
| FDBD02913 | orysastrobin |
|
Fungicide | Fungicide |
| FDBD02918 | benalaxyl |
|
Fungicide | Fungicide |
| FDBD02919 | benalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02945 | mepronil |
|
Fungicide | Fungicide |
| FDBD02955 | tioxymid |
|
Fungicide | Fungicide |
| FDBD02962 | tolylfluanid |
|
Fungicide | Fungicide |
369 ,
37
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 186l_ligand_1_0.mol2 | 186l | 1 | -7.21 | Cc1ccccc1 | 7 |
| 4lar_ligand_1_1.mol2 | 4lar | 1 | -7.20 | Cc1ccccc1 | 7 |
| 2p2a_ligand_1_2.mol2 | 2p2a | 1 | -7.19 | Cc1ccccc1 | 7 |
| 2vj8_ligand_1_0.mol2 | 2vj8 | 1 | -7.19 | c1ccccc1C | 7 |
| 3fhe_ligand_1_1.mol2 | 3fhe | 1 | -7.19 | c1(ccccc1)C | 7 |
| 4w57_ligand_1_0.mol2 | 4w57 | 1 | -7.19 | Cc1ccccc1 | 7 |
| 2bkt_ligand_1_1.mol2 | 2bkt | 1 | -7.18 | c1c(cccc1)C | 7 |
| 3fui_ligand_1_5.mol2 | 3fui | 1 | -7.18 | Cc1ccccc1 | 7 |
| 1rt2_ligand_1_0.mol2 | 1rt2 | 1 | -7.16 | Cc1ccccc1 | 7 |
2592 ,
260
