Common name
2-methoxyethylbenzene
IUPAC name
2-methoxyethylbenzene
SMILES
c1(ccccc1)CCOC
Common name
2-methoxyethylbenzene
IUPAC name
2-methoxyethylbenzene
SMILES
c1(ccccc1)CCOC
INCHI
InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
FORMULA
C9H12O
Common name
2-methoxyethylbenzene
IUPAC name
2-methoxyethylbenzene
Molecular weight
136.191
clogP
2.500
clogS
-2.546
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00084 | Betaxolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension. |
| FDBD00152 | Metoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of acute myocardial infarction, angina pectoris, heart failure and mild to moderate hypertension. May be used to treat supraventricular and tachyarrhythmias and as prophylaxis for migraine headaches. |
| FDBD01823 | Levobetaxolol |
|
; | |
| FDBD02305 | flufenprox |
|
Insecticide | Insecticide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jq7_ligand_2_12.mol2 | 4jq7 | 0.884615 | -6.71 | C(CO)c1ccccc1 | 9 |
| 4jq8_ligand_2_44.mol2 | 4jq8 | 0.884615 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jrv_ligand_2_54.mol2 | 4jrv | 0.884615 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jr3_ligand_2_20.mol2 | 4jr3 | 0.884615 | -6.64 | c1(ccccc1)CCO | 9 |
| 4ciy_ligand_2_0.mol2 | 4ciy | 0.884615 | -6.63 | C(c1ccccc1)CO | 9 |
| 4w4s_ligand_1_1.mol2 | 4w4s | 0.884615 | -6.55 | c1cc(ccc1)CCO | 9 |
| 1i7i_ligand_3_110.mol2 | 1i7i | 0.884615 | -6.54 | C(Cc1ccccc1)O | 9 |
109 ,
11
