Common name
4-[(1S)-1-hydroxyethyl]phenol
IUPAC name
4-[(1S)-1-hydroxyethyl]phenol
SMILES
Oc1ccc(cc1)C(C)O
Common name
4-[(1S)-1-hydroxyethyl]phenol
IUPAC name
4-[(1S)-1-hydroxyethyl]phenol
SMILES
Oc1ccc(cc1)C(C)O
INCHI
InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3/t6-/m0/s1
FORMULA
C8H10O2
Common name
4-[(1S)-1-hydroxyethyl]phenol
IUPAC name
4-[(1S)-1-hydroxyethyl]phenol
Molecular weight
138.164
clogP
1.352
clogS
-1.048
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). |
| FDBD00837 | Formoterol |
|
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 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); Beta2 Agonists; | For use as long-term maintenance treatment of asthma in patients 6 years of age and older with reversible obstructive airways disease, including patients with symptoms of nocturnal asthma, who are using optimal corticosteroid treatment and experiencing regular or frequent breakthrough symptoms requiring use of a short-acting bronchodilator. Not indicated for asthma that can be successfully managed with occasional use of an inhaled, short-acting beta2-adrenergic agonist. Also used for the prevention of exercise-induced bronchospasm, as well as long-term treatment of bronchospasm associated with COPD. |
| FDBD01111 | Arformoterol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); Beta2 Agonists; | A bronchodilator used for the long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema. |
| FDBD03067 | mefentrifluconazole |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lch_ligand_1_5.mol2 | 4lch | 1 | -6.59 | CC(O)(C)c1ccc(cc1)O | 11 |
| 1a09_ligand_4_1496.mol2 | 1a09 | 0.833333 | -6.17 | Oc1c(CO)cc(cc1)CC | 11 |
| 1o45_ligand_4_1.mol2 | 1o45 | 0.833333 | -5.92 | C(O)c1c(ccc(c1)CC)O | 11 |
| 4mga_ligand_2_2.mol2 | 4mga | 0.806452 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 0.806452 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 0.806452 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
143 ,
15
