Common name
1-ethoxypropane
IUPAC name
1-ethoxypropane
SMILES
C(CC)OCC
Common name
1-ethoxypropane
IUPAC name
1-ethoxypropane
SMILES
C(CC)OCC
INCHI
InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3
FORMULA
C5H12O
Common name
1-ethoxypropane
IUPAC name
1-ethoxypropane
Molecular weight
88.148
clogP
1.001
clogS
-1.507
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
3
| 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). |
| 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. |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hc8_ligand_4_209.mol2 | 3hc8 | 1 | -6.08 | O(CCC)CC | 6 |
| 4q1n_ligand_4_327.mol2 | 4q1n | 1 | -5.63 | C(C)COCC | 6 |
| 1lxf_ligand_4_20.mol2 | 1lxf | 1 | -5.11 | CCOCC(C)C | 7 |
| 4rhu_ligand_5_211.mol2 | 4rhu | 1 | -4.99 | C(COCC)C | 6 |
| 2yiu_ligand_3_131.mol2 | 2yiu | 0.8 | -5.97 | C(C)(C)COC | 6 |
| 4gj7_ligand_3_219.mol2 | 4gj7 | 0.8 | -5.93 | O(C)CCC | 5 |
| 2v0z_ligand_3_0.mol2 | 2v0z | 0.8 | -5.90 | C(C)COC | 5 |
| 2yiu_ligand_3_159.mol2 | 2yiu | 0.8 | -5.89 | C(C)(C)COC | 6 |
| 4ryc_ligand_3_169.mol2 | 4ryc | 0.8 | -5.89 | C(C)COC | 5 |
134 ,
14
