Common name
(1R)-1-(3-methoxyphenyl)ethanol
IUPAC name
(1R)-1-(3-methoxyphenyl)ethanol
SMILES
CC(O)c1cccc(c1)OC
Common name
(1R)-1-(3-methoxyphenyl)ethanol
IUPAC name
(1R)-1-(3-methoxyphenyl)ethanol
SMILES
CC(O)c1cccc(c1)OC
INCHI
InChI=1S/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3/t7-/m1/s1
FORMULA
C9H12O2
Common name
(1R)-1-(3-methoxyphenyl)ethanol
IUPAC name
(1R)-1-(3-methoxyphenyl)ethanol
Molecular weight
152.190
clogP
1.834
clogS
-1.763
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface 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). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rwj_ligand_3_24.mol2 | 4rwj | 0.825 | -7.32 | CCc1cccc(c1)OC | 10 |
| 4v05_ligand_3_30.mol2 | 4v05 | 0.825 | -7.24 | O(C)c1cc(ccc1)CC | 10 |
| 4rwj_ligand_3_30.mol2 | 4rwj | 0.825 | -7.17 | CCc1cc(ccc1)OC | 10 |
| 4v05_ligand_3_24.mol2 | 4v05 | 0.825 | -7.17 | O(C)c1cccc(c1)CC | 10 |
| 4nk9_ligand_3_8.mol2 | 4nk9 | 0.825 | -7.00 | C(c1cc(OC)ccc1)C | 10 |
| 4nk9_ligand_3_36.mol2 | 4nk9 | 0.825 | -6.89 | O(C)c1cc(CC)ccc1 | 10 |
102 ,
11
