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 |
|---|---|---|---|---|
| FDBD00405 | Gadoversetamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoversetamide is an MRI contrast agent used for MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors. |
| 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. |
| FDBD00477 | Bisoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI). |
| FDBD00481 | Candoxatril |
|
Prodrugs; | For treatment of hypertension, improve exercise capacity in patients with CHF receiving angiotensin converting enzyme inhibition. |
| FDBD00582 | Adefovir Dipivoxil |
|
Antiviral Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; | For the treatment of chronic hepatitis B in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease. |
| FDBD00612 | Carbinoxamine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. |
| FDBD00641 | Roxithromycin |
|
Anti-Bacterial Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | Used to treat respiratory tract, urinary and soft tissue infections. |
| 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). |
| FDBD00809 | Dirithromycin |
|
Anti-Infective Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; | For the treatment of the following mild-to-moderate infections caused by susceptible strains of microorganisms: acute bacterial exacerbations of chronic bronchitis, secondary bacterial infection of acute bronchitis, community-acquired pneumonia, pharyngitis/tonsilitis, and uncomplicated skin and skin structure infections. |
| FDBD00839 | Dimenhydrinate |
|
Histamine H1 Antagonists; Antiemetics; | Used for treating vertigo, motion sickness, and nausea associated with pregnancy. |
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
