Common name
pyridine
IUPAC name
pyridine
SMILES
c1cccnc1
Common name
pyridine
IUPAC name
pyridine
SMILES
c1cccnc1
INCHI
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
FORMULA
C5H5N
Common name
pyridine
IUPAC name
pyridine
Molecular weight
79.100
clogP
1.626
clogS
-1.146
Frequency
0.0333
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02825 | zuomihuanglong |
|
Herbicide | Herbicide |
| FDBD02849 | bicyclopyrone |
|
Herbicide | Herbicide |
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
| FDBD03037 | picarbutrazox |
|
Fungicide | Fungicide |
| FDBD03186 | pyrisoxazole |
|
Fungicide | Fungicide |
| FDBD03189 | buthiobate |
|
Fungicide | Fungicide |
| FDBD03193 | pyrifenox |
|
Fungicide | Fungicide |
97 ,
10
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh5_ligand_frag_1.mol2 | 1xh5 | 1 | -6.40 | c1ccncc1 | 6 |
| 1xh6_ligand_frag_7.mol2 | 1xh6 | 1 | -6.40 | c1ccncc1 | 6 |
| 1svh_ligand_frag_7.mol2 | 1svh | 1 | -6.39 | c1ccncc1 | 6 |
| 1xh9_ligand_frag_1.mol2 | 1xh9 | 1 | -6.39 | c1ccncc1 | 6 |
| 2gnj_ligand_frag_3.mol2 | 2gnj | 1 | -6.39 | c1ccncc1 | 6 |
| 3dne_ligand_frag_1.mol2 | 3dne | 1 | -6.39 | c1ccncc1 | 6 |
| 1xh4_ligand_frag_1.mol2 | 1xh4 | 1 | -6.38 | c1ccncc1 | 6 |
| 1xh8_ligand_frag_1.mol2 | 1xh8 | 1 | -6.38 | c1ccncc1 | 6 |
645 ,
65
