Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
SMILES
c1cc(cc(c1)OC)OC
Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
SMILES
c1cc(cc(c1)OC)OC
INCHI
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
FORMULA
C8H10O2
Common name
1,3-dimethoxybenzene
IUPAC name
1,3-dimethoxybenzene
Molecular weight
138.164
clogP
1.820
clogS
-2.018
Frequency
0.0041
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
18.46
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01676 | Podophyllin |
|
Antineoplastic Agents, Phytogenic; Keratolytic Agents; Caustics; | |
| FDBD02372 | isoxaben |
|
Herbicide | Herbicide |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rwj_ligand_2_6.mol2 | 4rwj | 1 | -6.79 | c1cc(cc(c1)OC)OC | 10 |
| 4umt_ligand_3_0.mol2 | 4umt | 1 | -6.74 | O(C)c1cc(OC)ccc1 | 10 |
| 4v05_ligand_2_6.mol2 | 4v05 | 1 | -6.71 | O(C)c1cccc(OC)c1 | 10 |
| 5a4c_ligand_2_45.mol2 | 5a4c | 1 | -6.64 | O(C)c1cc(OC)ccc1 | 10 |
| 4wcu_ligand_3_101.mol2 | 4wcu | 1 | -6.62 | c1(cc(ccc1)OC)OC | 10 |
| 2wxo_ligand_2_0.mol2 | 2wxo | 1 | -6.61 | O(C)c1cccc(OC)c1 | 10 |
| 4qq5_ligand_2_35.mol2 | 4qq5 | 1 | -6.59 | O(C)c1cccc(OC)c1 | 10 |
| 2fgi_ligand_2_77.mol2 | 2fgi | 1 | -6.57 | c1ccc(cc1OC)OC | 10 |
| 4nk9_ligand_2_0.mol2 | 4nk9 | 1 | -6.57 | O(C)c1cccc(OC)c1 | 10 |
| 4qqc_ligand_2_35.mol2 | 4qqc | 1 | -6.47 | O(C)c1cc(ccc1)OC | 10 |
131 ,
14
