Common name
2-(1-naphthyloxy)ethanol
IUPAC name
2-(1-naphthyloxy)ethanol
SMILES
C(Oc1c2c(ccc1)cccc2)CO
Common name
2-(1-naphthyloxy)ethanol
IUPAC name
2-(1-naphthyloxy)ethanol
SMILES
C(Oc1c2c(ccc1)cccc2)CO
INCHI
InChI=1S/C12H12O2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
FORMULA
C12H12O2
Common name
2-(1-naphthyloxy)ethanol
IUPAC name
2-(1-naphthyloxy)ethanol
Molecular weight
188.222
clogP
2.686
clogS
-2.990
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dy4_ligand_3_0.mol2 | 1dy4 | 1 | -7.77 | c1(cccc2ccccc12)OCCO | 14 |
| 1h46_ligand_3_0.mol2 | 1h46 | 1 | -6.95 | O(c1cccc2ccccc12)CCO | 14 |
| 3chs_ligand_3_52.mol2 | 3chs | 0.961538 | -7.01 | O(c1ccccc1)CCO | 10 |
| 1ikt_ligand_4_505.mol2 | 1ikt | 0.961538 | -6.59 | OCCOc1ccccc1 | 10 |
| 4q1c_ligand_3_0.mol2 | 4q1c | 0.961538 | -6.29 | C(CO)Oc1ccccc1 | 10 |
| 1h08_ligand_3_0.mol2 | 1h08 | 0.961538 | -6.18 | C(O)COc1ccccc1 | 10 |
| 2gfs_ligand_3_16.mol2 | 2gfs | 0.961538 | -6.16 | C(CO)Oc1ccccc1 | 10 |
| 4q1a_ligand_3_0.mol2 | 4q1a | 0.961538 | -6.11 | c1(ccccc1)OCCO | 10 |
| 4q1c_ligand_3_136.mol2 | 4q1c | 0.961538 | -6.09 | c1ccccc1OCCO | 10 |
174 ,
18
