Common name
2-(hydroxysulfanylmethyl)pyridine
IUPAC name
2-(hydroxysulfanylmethyl)pyridine
SMILES
S(O)Cc1ncccc1
Common name
2-(hydroxysulfanylmethyl)pyridine
IUPAC name
2-(hydroxysulfanylmethyl)pyridine
SMILES
S(O)Cc1ncccc1
INCHI
InChI=1S/C6H7NOS/c8-9-5-6-3-1-2-4-7-6/h1-4,8H,5H2
FORMULA
C6H7NOS
Common name
2-(hydroxysulfanylmethyl)pyridine
IUPAC name
2-(hydroxysulfanylmethyl)pyridine
Molecular weight
141.191
clogP
1.309
clogS
-1.333
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
58.42
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 1rw8_ligand_frag_1.mol2 | 1rw8 | 0.574468 | -6.65 | c1cccc(n1)C | 7 |
| 3hmm_ligand_frag_0.mol2 | 3hmm | 0.574468 | -6.61 | c1(ccccn1)C | 7 |
| 1vjy_ligand_frag_0.mol2 | 1vjy | 0.574468 | -6.60 | Cc1ccccn1 | 7 |
| 3gxl_ligand_frag_0.mol2 | 3gxl | 0.574468 | -6.52 | Cc1ccccn1 | 7 |
| 4hgs_ligand_1_1.mol2 | 4hgs | 0.574468 | -6.51 | c1cc(ncc1)C | 7 |
112 ,
12
