Common name
3-methoxy-2-methyl-pyridine
IUPAC name
3-methoxy-2-methyl-pyridine
SMILES
O(C)c1c(nccc1)C
Common name
3-methoxy-2-methyl-pyridine
IUPAC name
3-methoxy-2-methyl-pyridine
SMILES
O(C)c1c(nccc1)C
INCHI
InChI=1S/C7H9NO/c1-6-7(9-2)4-3-5-8-6/h3-5H,1-2H3
FORMULA
C7H9NO
Common name
3-methoxy-2-methyl-pyridine
IUPAC name
3-methoxy-2-methyl-pyridine
Molecular weight
123.152
clogP
1.799
clogS
-2.040
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 |
|---|---|---|---|---|---|
| 4hgs_ligand_2_5.mol2 | 4hgs | 0.882353 | -6.52 | O(C)c1ccc(nc1)C | 9 |
| 4hgt_ligand_2_5.mol2 | 4hgt | 0.882353 | -6.44 | O(C)c1ccc(C)nc1 | 9 |
| 4ge4_ligand_frag_1.mol2 | 4ge4 | 0.808511 | -6.79 | c1ccc(c(n1)C)O | 8 |
| 1m7y_ligand_frag_0.mol2 | 1m7y | 0.808511 | -6.72 | n1c(c(ccc1)O)C | 8 |
| 4ge9_ligand_frag_2.mol2 | 4ge9 | 0.808511 | -6.69 | c1cc(c(nc1)C)O | 8 |
| 3fq7_ligand_frag_0.mol2 | 3fq7 | 0.808511 | -6.59 | n1c(c(ccc1)O)C | 8 |
| 2fq6_ligand_frag_3.mol2 | 2fq6 | 0.808511 | -6.52 | c1cnc(c(c1)O)C | 8 |
| 4oma_ligand_frag_0.mol2 | 4oma | 0.808511 | -6.51 | n1c(c(ccc1)O)C | 8 |
100 ,
11
