Common name
2-methoxynaphthalene
IUPAC name
2-methoxynaphthalene
SMILES
c1cc2c(cc1)cc(cc2)OC
Common name
2-methoxynaphthalene
IUPAC name
2-methoxynaphthalene
SMILES
c1cc2c(cc1)cc(cc2)OC
INCHI
InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
FORMULA
C11H10O
Common name
2-methoxynaphthalene
IUPAC name
2-methoxynaphthalene
Molecular weight
158.197
clogP
3.000
clogS
-3.128
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00336 | Nabumetone |
|
Cyclooxygenase 2 Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. |
| FDBD00650 | Naproxen |
|
Gout Suppressants; Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Genito Urinary System and Sex Hormones; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Propionic Acid Derivatives; Antiinflammatory Products for Vaginal Administration; 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 CYP2C8 Inducers; | For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, tendinitis, bursitis, and acute gout. Also for the relief of mild to moderate pain and the treatment of primary dysmenorrhea. |
| FDBD01421 | Agomelatine |
|
Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; | Agomelatine is indicated for the treatment of major depressive episodes in adults. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zbi_ligand_2_9.mol2 | 4zbi | 1 | -7.93 | COc1c2ccccc2ccc1 | 12 |
| 4zbf_ligand_2_9.mol2 | 4zbf | 1 | -7.91 | COc1c2ccccc2ccc1 | 12 |
| 4m13_ligand_2_3.mol2 | 4m13 | 1 | -7.87 | c1cccc2c1cc(cc2)OC | 12 |
| 4mm6_ligand_2_14.mol2 | 4mm6 | 1 | -7.85 | O(c1c2ccccc2ccc1)C | 12 |
| 4m0z_ligand_1_1.mol2 | 4m0z | 1 | -7.84 | O(C)c1cc2ccccc2cc1 | 12 |
1011 ,
102
