Common name
4-methoxypyridine
IUPAC name
4-methoxypyridine
SMILES
O(C)c1ccncc1
Common name
4-methoxypyridine
IUPAC name
4-methoxypyridine
SMILES
O(C)c1ccncc1
INCHI
InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
FORMULA
C6H7NO
Common name
4-methoxypyridine
IUPAC name
4-methoxypyridine
Molecular weight
109.126
clogP
1.395
clogS
-1.482
Frequency
0.0003
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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y5k_ligand_1_4.mol2 | 2y5k | 1 | -5.75 | O(C)c1ccncc1 | 8 |
| 5ct7_ligand_1_1.mol2 | 5ct7 | 0.814815 | -6.23 | c1c(ccnc1)O | 7 |
| 2qu5_ligand_1_1.mol2 | 2qu5 | 0.814815 | -6.22 | c1cnccc1O | 7 |
| 2qu6_ligand_1_3.mol2 | 2qu6 | 0.814815 | -6.19 | c1nccc(c1)O | 7 |
| 5ar7_ligand_1_3.mol2 | 5ar7 | 0.814815 | -6.18 | Oc1ccncc1 | 7 |
| 1uwh_ligand_1_3.mol2 | 1uwh | 0.814815 | -6.15 | Oc1ccncc1 | 7 |
743 ,
75
