Common name
2-methoxy-1,4-dimethyl-benzene
IUPAC name
2-methoxy-1,4-dimethyl-benzene
SMILES
COc1c(ccc(c1)C)C
Common name
2-methoxy-1,4-dimethyl-benzene
IUPAC name
2-methoxy-1,4-dimethyl-benzene
SMILES
COc1c(ccc(c1)C)C
INCHI
InChI=1S/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3
FORMULA
C9H12O
Common name
2-methoxy-1,4-dimethyl-benzene
IUPAC name
2-methoxy-1,4-dimethyl-benzene
Molecular weight
136.191
clogP
2.762
clogS
-2.814
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01085 | Gemfibrozil |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet. |
| FDBD02903 | dimoxystrobin |
|
Fungicide | Fungicide |
| FDBD02910 | mandestrobin |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5boj_ligand_2_6.mol2 | 5boj | 1 | -7.05 | O(c1cc(ccc1C)C)C | 10 |
| 1uyi_ligand_3_55.mol2 | 1uyi | 0.903226 | -6.69 | O(C)c1ccc(c(C)c1)OC | 11 |
| 1uyg_ligand_3_3.mol2 | 1uyg | 0.903226 | -6.64 | c1(c(cc(cc1)OC)C)OC | 11 |
| 1uyc_ligand_3_0.mol2 | 1uyc | 0.903226 | -6.63 | O(C)c1cc(C)c(cc1)OC | 11 |
| 1uyh_ligand_3_0.mol2 | 1uyh | 0.903226 | -6.63 | O(C)c1ccc(cc1C)OC | 11 |
| 1u71_ligand_3_3.mol2 | 1u71 | 0.903226 | -6.14 | c1(c(ccc(c1)OC)OC)C | 11 |
| 2h96_ligand_3_0.mol2 | 2h96 | 0.903226 | -6.13 | Cc1c(ccc(c1)OC)OC | 11 |
| 4rwj_ligand_2_10.mol2 | 4rwj | 0.896552 | -7.12 | c1(cccc(c1)OC)C | 9 |
| 3c4f_ligand_2_0.mol2 | 3c4f | 0.896552 | -7.07 | COc1cccc(c1)C | 9 |
128 ,
13
