Common name
2-ethoxyethanol
IUPAC name
2-ethoxyethanol
SMILES
CCOCCO
Common name
2-ethoxyethanol
IUPAC name
2-ethoxyethanol
SMILES
CCOCCO
INCHI
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
FORMULA
C4H10O2
Common name
2-ethoxyethanol
IUPAC name
2-ethoxyethanol
Molecular weight
90.121
clogP
0.129
clogS
-0.549
Frequency
0.0024
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00424 | Hydroxyzine |
|
Hypnotics and Sedatives; Antipruritics; Histamine H1 Antagonists; Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For symptomatic relief of anxiety and tension associated with psychoneurosis and as an adjunct in organic disease states in which anxiety is manifested. Useful in the management of pruritus due to allergic conditions such as chronic urticaria. |
| FDBD01070 | Quetiapine |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Diazepines, Oxazepines, Thiazepines and Oxepines; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of schizophrenia and related psychotic disorders. |
| 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. |
| FDBD01715 | Florbetaben (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01716 | Florbetapir (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01822 | Piperonyl butoxide |
|
Pesticide Synergists; | For the treatment of head, pubic (crab), and body lice. |
| FDBD03012 | debacarb |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_5_1161.mol2 | 1ikt | 1 | -5.72 | CCOCCO | 6 |
| 1ikt_ligand_5_1231.mol2 | 1ikt | 1 | -5.70 | C(O)COCC | 6 |
| 1ikt_ligand_5_1281.mol2 | 1ikt | 1 | -5.61 | CCOCCO | 6 |
| 4wkp_ligand_4_206.mol2 | 4wkp | 1 | -5.25 | C(CO)OCC | 6 |
| 2bvs_ligand_5_4347.mol2 | 2bvs | 1 | -5.17 | CCOCCO | 6 |
| 2xei_ligand_5_8547.mol2 | 2xei | 1 | -5.13 | CCOCCO | 6 |
| 5bsk_ligand_4_20.mol2 | 5bsk | 1 | -5.13 | C(C)OCCO | 6 |
116 ,
12
