Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
SMILES
O(C)Cc1ccccc1
Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
SMILES
O(C)Cc1ccccc1
INCHI
InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
FORMULA
C8H10O
Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
Molecular weight
122.164
clogP
2.180
clogS
-2.126
Frequency
0.0045
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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). |
| FDBD00839 | Dimenhydrinate |
|
Histamine H1 Antagonists; Antiemetics; | Used for treating vertigo, motion sickness, and nausea associated with pregnancy. |
| FDBD00926 | Diphenhydramine |
|
Anti-Allergic Agents; Hypnotics and Sedatives; Anesthetics, Local; Histamine H1 Antagonists; Antitussive Agents; Antiemetics; Antidyskinetics; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01019 | Orphenadrine |
|
Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Muscle Relaxants, Central; Antidyskinetics; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Nervous System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Anti-Parkinson Drugs; Anticholinergics; Ethers Chemically Close to Antihistamines; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Indicated for the treatment of Parkinson's disease. |
| FDBD01081 | Bromodiphenhydramine |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive. |
| FDBD01411 | Ambrisentan |
|
Antihypertensive Agents; Cardiovascular System; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Ambrisentan is indicated for treatment of idiopathic (‘primary |
| FDBD01619 | Cloperastine |
|
Cough and Cold Preparations; Respiratory System; | |
| 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). |
| FDBD02277 | methothrin |
|
Insecticide | Insecticide |
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bkt_ligand_3_55.mol2 | 2bkt | 1 | -7.03 | c1c(cccc1)COC | 9 |
| 2bks_ligand_3_91.mol2 | 2bks | 1 | -6.74 | C(OC)c1ccccc1 | 9 |
| 1rt2_ligand_3_34.mol2 | 1rt2 | 1 | -6.73 | c1(ccccc1)COC | 9 |
| 3iw8_ligand_3_0.mol2 | 3iw8 | 1 | -6.55 | O(C)Cc1ccccc1 | 9 |
| 4xm8_ligand_2_27.mol2 | 4xm8 | 1 | -6.47 | O(C)Cc1ccccc1 | 9 |
| 1o1s_ligand_3_244.mol2 | 1o1s | 1 | -6.44 | COCc1ccccc1 | 9 |
| 1d4h_ligand_3_348.mol2 | 1d4h | 1 | -6.33 | COCc1ccccc1 | 9 |
| 1d4i_ligand_3_21.mol2 | 1d4i | 1 | -6.32 | C(OC)c1ccccc1 | 9 |
230 ,
24
