Common name
1-methoxy-2-methyl-benzene
IUPAC name
1-methoxy-2-methyl-benzene
SMILES
COc1c(cccc1)C
Common name
1-methoxy-2-methyl-benzene
IUPAC name
1-methoxy-2-methyl-benzene
SMILES
COc1c(cccc1)C
INCHI
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
FORMULA
C8H10O
Common name
1-methoxy-2-methyl-benzene
IUPAC name
1-methoxy-2-methyl-benzene
Molecular weight
122.164
clogP
2.311
clogS
-2.260
Frequency
0.0031
HBond Acceptor
1
HBond Donor
0
Total Polar
Surface Area
9.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00176 | Atomoxetine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures. |
| FDBD00416 | Zafirlukast |
|
Anti-Asthmatic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the prophylaxis and chronic treatment of asthma. |
| FDBD00726 | Alprenolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, angina, and arrhythmia. |
| FDBD01655 | Trimetazidine |
|
Vasodilator Agents; Cardiovascular System; Cardiac Therapy; | Trimetazidine is indicated for use in angina pectoris. |
| FDBD01998 | methoxyfenozide |
|
Insecticide | Insecticide |
| FDBD02500 | tolpyralate |
|
Herbicide | Herbicide |
| FDBD02874 | methoxyphenone |
|
Herbicide | Herbicide |
| FDBD02955 | tioxymid |
|
Fungicide | Fungicide |
| FDBD02988 | kresoxim-methyl |
|
Fungicide | Fungicide |
9 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bkt_ligand_2_0.mol2 | 2bkt | 1 | -7.14 | c1(c(cccc1)C)OC | 9 |
| 4umt_ligand_2_4.mol2 | 4umt | 1 | -6.96 | COc1ccccc1C | 9 |
| 2bks_ligand_2_0.mol2 | 2bks | 1 | -6.88 | Cc1c(OC)cccc1 | 9 |
| 3acx_ligand_3_31.mol2 | 3acx | 1 | -6.80 | Cc1c(cccc1)OC | 9 |
| 4fhh_ligand_2_5.mol2 | 4fhh | 1 | -6.74 | COc1ccccc1C | 9 |
| 4fhi_ligand_2_5.mol2 | 4fhi | 1 | -6.73 | COc1ccccc1C | 9 |
| 1uyi_ligand_2_25.mol2 | 1uyi | 1 | -6.71 | Cc1c(cccc1)OC | 9 |
| 1uyg_ligand_2_3.mol2 | 1uyg | 1 | -6.65 | c1(c(cccc1)C)OC | 9 |
| 1uyh_ligand_2_1.mol2 | 1uyh | 1 | -6.64 | O(C)c1ccccc1C | 9 |
164 ,
17
