Common name
1-methoxynaphthalene
IUPAC name
1-methoxynaphthalene
SMILES
COc1c2c(ccc1)cccc2
Common name
1-methoxynaphthalene
IUPAC name
1-methoxynaphthalene
SMILES
COc1c2c(ccc1)cccc2
INCHI
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
FORMULA
C11H10O
Common name
1-methoxynaphthalene
IUPAC name
1-methoxynaphthalene
Molecular weight
158.197
clogP
3.000
clogS
-3.128
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00349 | Duloxetine |
|
Dopamine Agents; Analgesics; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Serotonin and Noradrenaline Reuptake Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women. |
| FDBD00438 | Propranolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the prophylaxis of migraine. |
2 ,
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
