Common name
methoxyethane
IUPAC name
methoxyethane
SMILES
CCOC
Common name
methoxyethane
IUPAC name
methoxyethane
SMILES
CCOC
INCHI
InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3
FORMULA
C3H8O
Common name
methoxyethane
IUPAC name
methoxyethane
Molecular weight
60.095
clogP
0.187
clogS
-0.625
Frequency
0.0254
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01660 | Umeclidinium |
|
Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; Anticholinergics; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Indicated for the long-term, once-daily, maintenance treatment of airflow obstruction in patients with 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. |
| FDBD01672 | Pinaverium |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | |
| FDBD01715 | Florbetaben (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01716 | Florbetapir (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01727 | Technetium Tc-99m tetrofosmin |
|
Diagnostic Radiopharmaceuticals; Cardiovascular System; Technetium (99Mtc) Compounds; | |
| FDBD01758 | Cilnidipine |
|
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; | For the treatment of hypertension. |
| FDBD01788 | Rolapitant |
|
CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Neurokinin-1 Receptor Antagonists; | Rolapitant is indicated in combination with other antiemetic agents in adults for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy, including, but not limited to, highly emetogenic chemotherapy. |
| FDBD01795 | Tenofovir alafenamide |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in the treatment of HIV infection and chronic hepatitis B. |
| FDBD01813 | Mersalyl |
|
Enzyme Inhibitors; Diuretics; Cardiovascular System; Low-Ceiling Diuretics, Excl. Thiazides; Mercurial Diuretics; |
74 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_2_65.mol2 | 4gj7 | 1 | -5.76 | O(C)CC | 4 |
| 2v0z_ligand_2_0.mol2 | 2v0z | 1 | -5.73 | CCOC | 4 |
| 4ryc_ligand_2_50.mol2 | 4ryc | 1 | -5.73 | CCOC | 4 |
| 4rz1_ligand_2_57.mol2 | 4rz1 | 1 | -5.72 | O(C)CC | 4 |
| 4ryg_ligand_2_69.mol2 | 4ryg | 1 | -5.71 | O(C)CC | 4 |
| 4gjd_ligand_2_44.mol2 | 4gjd | 1 | -5.69 | O(C)CC | 4 |
| 3gw5_ligand_2_30.mol2 | 3gw5 | 1 | -5.68 | C(OC)C | 4 |
| 2g1y_ligand_2_14.mol2 | 2g1y | 1 | -5.66 | O(C)CC | 4 |
| 2v12_ligand_2_0.mol2 | 2v12 | 1 | -5.66 | C(OC)C | 4 |
183 ,
19
