Common name
(2-methoxyphenyl)methanol
IUPAC name
(2-methoxyphenyl)methanol
SMILES
C(O)c1c(cccc1)OC
Common name
(2-methoxyphenyl)methanol
IUPAC name
(2-methoxyphenyl)methanol
SMILES
C(O)c1c(cccc1)OC
INCHI
InChI=1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
FORMULA
C8H10O2
Common name
(2-methoxyphenyl)methanol
IUPAC name
(2-methoxyphenyl)methanol
Molecular weight
138.164
clogP
1.672
clogS
-1.720
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total Polar
Surface Area
29.46
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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bkt_ligand_3_0.mol2 | 2bkt | 1 | -6.94 | c1(c(cccc1)CO)OC | 10 |
| 2bks_ligand_3_0.mol2 | 2bks | 1 | -6.68 | C(O)c1c(OC)cccc1 | 10 |
| 1xdd_ligand_2_35.mol2 | 1xdd | 0.969697 | -6.00 | c1ccc2c(c(ccc2c1)OC)CO | 14 |
| 2bkt_ligand_4_0.mol2 | 2bkt | 0.864865 | -7.01 | c1(c(cccc1)COC)OC | 11 |
| 2bks_ligand_4_0.mol2 | 2bks | 0.864865 | -6.71 | C(OC)c1c(OC)cccc1 | 11 |
| 3fum_ligand_3_1.mol2 | 3fum | 0.8 | -7.05 | COc1ccc(CO)cc1 | 10 |
| 3ful_ligand_3_10.mol2 | 3ful | 0.8 | -7.02 | COc1ccc(CO)cc1 | 10 |
100 ,
11
