Common name
2-methoxypyrazine
IUPAC name
2-methoxypyrazine
SMILES
n1cc(ncc1)OC
Common name
2-methoxypyrazine
IUPAC name
2-methoxypyrazine
SMILES
n1cc(ncc1)OC
INCHI
InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
FORMULA
C5H6N2O
Common name
2-methoxypyrazine
IUPAC name
2-methoxypyrazine
Molecular weight
110.114
clogP
0.941
clogS
-1.263
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
35.01
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00529 | Sulfametopyrazine |
|
Antimalarials; Anti-Infective Agents; Anti-Infective Agents, Urinary; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Sulfonamides and Trimethoprim; Long-Acting Sulfonamides; | For the treatment of urinary tract infection and chronic bronchitis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qy2_ligand_1_1.mol2 | 1qy2 | 1 | -5.91 | O(C)c1cnccn1 | 8 |
| 1qy1_ligand_1_1.mol2 | 1qy1 | 1 | -5.88 | n1cc(ncc1)OC | 8 |
| 2nnd_ligand_1_1.mol2 | 2nnd | 1 | -5.88 | O(C)c1cnccn1 | 8 |
| 1dzk_ligand_1_1.mol2 | 1dzk | 1 | -5.57 | O(C)c1nccnc1 | 8 |
| 1qy1_ligand_2_0.mol2 | 1qy1 | 0.704545 | -6.26 | n1c(c(ncc1)OC)C | 9 |
| 2nnd_ligand_2_0.mol2 | 2nnd | 0.704545 | -6.25 | O(C)c1c(nccn1)C | 9 |
| 1dzk_ligand_2_0.mol2 | 1dzk | 0.704545 | -5.94 | O(C)c1nccnc1C | 9 |
| 4hf4_ligand_2_9.mol2 | 4hf4 | 0.574074 | -6.98 | c1(nccnc1)Oc1ccccc1 | 13 |
| 4mvh_ligand_2_3.mol2 | 4mvh | 0.574074 | -6.88 | c1(nccnc1)Oc1ccccc1 | 13 |
| 1qy2_ligand.mol2 | 1qy2 | 0.563636 | -6.88 | CC(C)c1nccnc1OC | 12 |
100 ,
11
