Common name
4-methylsulfanylpyridine
IUPAC name
4-methylsulfanylpyridine
SMILES
n1ccc(cc1)SC
Common name
4-methylsulfanylpyridine
IUPAC name
4-methylsulfanylpyridine
SMILES
n1ccc(cc1)SC
INCHI
InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
FORMULA
C6H7NS
Common name
4-methylsulfanylpyridine
IUPAC name
4-methylsulfanylpyridine
Molecular weight
125.191
clogP
1.955
clogS
-1.874
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
38.19
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00987 | Cefapirin |
|
Anti-Bacterial Agents; Cephalosporins; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Antiinfectives and Antiseptics for Intrauterine Use; First-Generation Cephalosporins; Antibacterials; | For treatment of infections caused by susceptible bacteria. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1idb_ligand_1_11.mol2 | 1idb | 0.676471 | -5.67 | n1ccc(cc1)[S](O)O | 9 |
| 4qd6_ligand_1_0.mol2 | 4qd6 | 0.676471 | -5.38 | [S](O)(O)c1ccncc1 | 9 |
| 4qd6_ligand_2_2.mol2 | 4qd6 | 0.6 | -5.87 | c1(ccccc1)S(=O)(=O)c1ccncc1 | 15 |
| 1xh5_ligand_frag_1.mol2 | 1xh5 | 0.592593 | -6.40 | c1ccncc1 | 6 |
| 1xh6_ligand_frag_7.mol2 | 1xh6 | 0.592593 | -6.40 | c1ccncc1 | 6 |
| 1svh_ligand_frag_7.mol2 | 1svh | 0.592593 | -6.39 | c1ccncc1 | 6 |
| 1xh9_ligand_frag_1.mol2 | 1xh9 | 0.592593 | -6.39 | c1ccncc1 | 6 |
| 2gnj_ligand_frag_3.mol2 | 2gnj | 0.592593 | -6.39 | c1ccncc1 | 6 |
| 3dne_ligand_frag_1.mol2 | 3dne | 0.592593 | -6.39 | c1ccncc1 | 6 |
648 ,
65
