Common name
3-methoxypyridine
IUPAC name
3-methoxypyridine
SMILES
O(C)c1cnccc1
Common name
3-methoxypyridine
IUPAC name
3-methoxypyridine
SMILES
O(C)c1cnccc1
INCHI
InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
FORMULA
C6H7NO
Common name
3-methoxypyridine
IUPAC name
3-methoxypyridine
Molecular weight
109.126
clogP
1.395
clogS
-1.482
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
22.12
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00101 | Pantoprazole |
|
Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Short-term (up to 16 weeks) treatment of erosive esophagitis. |
| FDBD02824 | trifloxysulfuron |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hgs_ligand_1_3.mol2 | 4hgs | 1 | -6.15 | O(C)c1cccnc1 | 8 |
| 1w83_ligand_2_5.mol2 | 1w83 | 1 | -6.12 | c1(cnccc1)OC | 8 |
| 3fzt_ligand_2_5.mol2 | 3fzt | 1 | -6.12 | c1c(cncc1)OC | 8 |
| 3egt_ligand_2_34.mol2 | 3egt | 1 | -6.11 | O(c1c[nH+]ccc1)C | 8 |
| 4hgt_ligand_1_3.mol2 | 4hgt | 1 | -6.11 | O(C)c1cccnc1 | 8 |
| 4b5d_ligand_2_12.mol2 | 4b5d | 1 | -6.10 | c1cncc(c1)OC | 8 |
| 1wbn_ligand_2_9.mol2 | 1wbn | 1 | -6.09 | O(c1cccnc1)C | 8 |
| 2jdv_ligand_2_5.mol2 | 2jdv | 1 | -6.05 | O(C)c1cnccc1 | 8 |
| 4ps3_ligand_1_6.mol2 | 4ps3 | 1 | -5.98 | c1cc(cnc1)OC | 8 |
100 ,
11
