Common name
6-(hydroxymethyl)pyridin-3-ol
IUPAC name
6-(hydroxymethyl)pyridin-3-ol
SMILES
C(O)c1ncc(cc1)O
Common name
6-(hydroxymethyl)pyridin-3-ol
IUPAC name
6-(hydroxymethyl)pyridin-3-ol
SMILES
C(O)c1ncc(cc1)O
INCHI
InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2
FORMULA
C6H7NO2
Common name
6-(hydroxymethyl)pyridin-3-ol
IUPAC name
6-(hydroxymethyl)pyridin-3-ol
Molecular weight
125.125
clogP
0.732
clogS
-0.782
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
53.35
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01118 | Pirbuterol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cardiotonic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the prevention and reversal of bronchospasm in patients 12 years of age and older with reversible bronchospasm including asthma. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hgs_ligand_3_6.mol2 | 4hgs | 0.833333 | -6.31 | O(C)c1ccc(nc1)CO | 10 |
| 4hgt_ligand_3_6.mol2 | 4hgt | 0.833333 | -6.20 | OCc1ccc(OC)cn1 | 10 |
| 5ea5_ligand_frag_7.mol2 | 5ea5 | 0.78 | -5.62 | c1c(ccc([nH+]1)C)O | 8 |
| 5ea3_ligand_frag_0.mol2 | 5ea3 | 0.78 | -5.56 | c1c(ncc(c1)O)C | 8 |
| 4hgs_ligand_2_4.mol2 | 4hgs | 0.74 | -6.30 | OCc1ccccn1 | 8 |
| 4kbc_ligand_1_1.mol2 | 4kbc | 0.74 | -6.26 | C(O)c1ncccc1 | 8 |
101 ,
11
