Common name
1,2-dimethoxybenzene
IUPAC name
1,2-dimethoxybenzene
SMILES
O(C)c1ccccc1OC
Common name
1,2-dimethoxybenzene
IUPAC name
1,2-dimethoxybenzene
SMILES
O(C)c1ccccc1OC
INCHI
InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
FORMULA
C8H10O2
Common name
1,2-dimethoxybenzene
IUPAC name
1,2-dimethoxybenzene
Molecular weight
138.164
clogP
1.820
clogS
-2.018
Frequency
0.0093
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 |
|---|---|---|---|---|
| FDBD01655 | Trimetazidine |
|
Vasodilator Agents; Cardiovascular System; Cardiac Therapy; | Trimetazidine is indicated for use in angina pectoris. |
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | |
| FDBD01676 | Podophyllin |
|
Antineoplastic Agents, Phytogenic; Keratolytic Agents; Caustics; | |
| FDBD02906 | flumetover |
|
Fungicide | Fungicide |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
| FDBD03161 | dimethomorph |
|
Fungicide | Fungicide |
| FDBD03164 | flumorph |
|
Fungicide | Fungicide |
27 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xm6_ligand_3_6.mol2 | 1xm6 | 1 | -6.81 | COc1c(OC)cccc1 | 10 |
| 4wcu_ligand_2_39.mol2 | 4wcu | 1 | -6.78 | O(C)c1ccccc1OC | 10 |
| 4wcu_ligand_3_100.mol2 | 4wcu | 1 | -6.55 | O(C)c1c(cccc1)OC | 10 |
| 2ay3_ligand_2_5.mol2 | 2ay3 | 1 | -6.43 | O(C)c1ccccc1OC | 10 |
| 4bgg_ligand_2_0.mol2 | 4bgg | 1 | -6.42 | COc1c(cccc1)OC | 10 |
| 1uy6_ligand_2_7.mol2 | 1uy6 | 1 | -6.40 | O(C)c1ccccc1OC | 10 |
| 1uy6_ligand_2_0.mol2 | 1uy6 | 1 | -6.38 | O(C)c1c(cccc1)OC | 10 |
191 ,
20
