Common name
1,4-dimethoxybenzene
IUPAC name
1,4-dimethoxybenzene
SMILES
c1c(ccc(c1)OC)OC
Common name
1,4-dimethoxybenzene
IUPAC name
1,4-dimethoxybenzene
SMILES
c1c(ccc(c1)OC)OC
INCHI
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
FORMULA
C8H10O2
Common name
1,4-dimethoxybenzene
IUPAC name
1,4-dimethoxybenzene
Molecular weight
138.164
clogP
1.820
clogS
-2.018
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD00099 | Midodrine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of symptomatic orthostatic hypotension (OH). |
| FDBD00587 | Methoxamine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; | Indicated for the treatment and management of hypotension. |
| FDBD01041 | Flecainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin. |
| FDBD01818 | Pramocaine |
|
Dermatologicals; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5aen_ligand_3_11.mol2 | 5aen | 1 | -6.78 | COc1ccc(cc1)O | 9 |
| 3fh7_ligand_3_21.mol2 | 3fh7 | 1 | -6.68 | Oc1ccc(cc1)OC | 9 |
| 1uyi_ligand_2_27.mol2 | 1uyi | 1 | -6.46 | O(C)c1ccc(cc1)OC | 10 |
| 1uyg_ligand_2_5.mol2 | 1uyg | 1 | -6.41 | c1(ccc(cc1)OC)OC | 10 |
| 1uyc_ligand_2_0.mol2 | 1uyc | 1 | -6.40 | O(C)c1ccc(cc1)OC | 10 |
| 1uyh_ligand_2_0.mol2 | 1uyh | 1 | -6.40 | O(C)c1ccc(cc1)OC | 10 |
| 1rek_ligand_1_6.mol2 | 1rek | 1 | -6.38 | c1cc(ccc1O)OC | 9 |
| 4e9u_ligand_3_14.mol2 | 4e9u | 1 | -6.29 | Oc1ccc(OC)cc1 | 9 |
1015 ,
102
