Common name
(2,5-dimethoxyphenyl)methanol
IUPAC name
(2,5-dimethoxyphenyl)methanol
SMILES
C(O)c1c(ccc(c1)OC)OC
Common name
(2,5-dimethoxyphenyl)methanol
IUPAC name
(2,5-dimethoxyphenyl)methanol
SMILES
C(O)c1c(ccc(c1)OC)OC
INCHI
InChI=1S/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3
FORMULA
C9H12O3
Common name
(2,5-dimethoxyphenyl)methanol
IUPAC name
(2,5-dimethoxyphenyl)methanol
Molecular weight
168.190
clogP
1.675
clogS
-2.021
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
38.69
Number of Rings
1
Rotatable Bond
3
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eh8_ligand_3_3.mol2 | 4eh8 | 0.846154 | -6.77 | COc1cc(ccc1)CO | 10 |
| 4h38_ligand_4_285.mol2 | 4h38 | 0.846154 | -6.62 | O(c1cc(ccc1)CO)C | 10 |
| 3gz9_ligand_4_299.mol2 | 3gz9 | 0.846154 | -6.29 | O(c1cccc(c1)CO)C | 10 |
| 3h0a_ligand_4_284.mol2 | 3h0a | 0.846154 | -6.29 | OCc1cccc(OC)c1 | 10 |
192 ,
20
