Common name
2-(hydroxymethyl)phenol
IUPAC name
2-(hydroxymethyl)phenol
SMILES
Oc1c(cccc1)CO
Common name
2-(hydroxymethyl)phenol
IUPAC name
2-(hydroxymethyl)phenol
SMILES
Oc1c(cccc1)CO
INCHI
InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
FORMULA
C7H8O2
Common name
2-(hydroxymethyl)phenol
IUPAC name
2-(hydroxymethyl)phenol
Molecular weight
124.137
clogP
1.215
clogS
-1.002
Frequency
0.0014
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00793 | Salmeterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD00855 | Salbutamol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; CYP3A4 Inhibitors; Beta2 Agonists; | For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD. |
| FDBD01665 | Vilanterol |
|
Immunosuppressive Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; CYP3A4 Inhibitors; Beta2 Agonists; | Vilanterol is approved for use in several combination products such as with fluticasone furoate under the tradename Breo Ellipta and in combination with umeclidinium bromide as Anoro Ellipta. Approved by the FDA in 2013, use of Breo Ellipta is indicated for the long-term, once-daily maintenance treatment of airflow obstruction in patients with COPD, including chronic bronchitis and emphysema. It is also indicated for once-daily maintenance treatment of asthma in patients aged 18 or older with reversible obstructive airways disease. |
| FDBD02764 | benzfendizone |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a09_ligand_2_66.mol2 | 1a09 | 1 | -5.96 | Oc1c(CO)cccc1 | 9 |
| 1o45_ligand_2_0.mol2 | 1o45 | 1 | -5.74 | C(O)c1c(O)cccc1 | 9 |
| 1o4k_ligand_2_0.mol2 | 1o4k | 1 | -5.72 | Oc1c(CO)cccc1 | 9 |
| 1o4i_ligand_2_0.mol2 | 1o4i | 1 | -5.59 | C(O)c1ccccc1O | 9 |
| 1o4d_ligand_2_0.mol2 | 1o4d | 1 | -5.57 | c1cccc(c1CO)O | 9 |
| 1a09_ligand_3_409.mol2 | 1a09 | 0.892857 | -6.09 | Oc1c(CO)cc(cc1)C | 10 |
| 1o45_ligand_3_0.mol2 | 1o45 | 0.892857 | -5.85 | C(O)c1c(O)ccc(c1)C | 10 |
| 1o4e_ligand_2_0.mol2 | 1o4e | 0.892857 | -5.73 | C(O)c1cc(ccc1O)C | 10 |
| 3fum_ligand_2_0.mol2 | 3fum | 0.851852 | -7.02 | C(O)c1ccc(cc1)O | 9 |
| 3ful_ligand_2_5.mol2 | 3ful | 0.851852 | -7.00 | OCc1ccc(cc1)O | 9 |
125 ,
13
