Common name
2-phenylmethoxypyridine
IUPAC name
2-phenylmethoxypyridine
SMILES
c1c(cccc1)COc1ncccc1
Common name
2-phenylmethoxypyridine
IUPAC name
2-phenylmethoxypyridine
SMILES
c1c(cccc1)COc1ncccc1
INCHI
InChI=1S/C12H11NO/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2
FORMULA
C12H11NO
Common name
2-phenylmethoxypyridine
IUPAC name
2-phenylmethoxypyridine
Molecular weight
185.222
clogP
2.883
clogS
-3.325
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
22.12
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2chm_ligand_3_69.mol2 | 2chm | 0.709677 | -6.58 | CCOc1ccccn1 | 9 |
| 1d3p_ligand_3_81.mol2 | 1d3p | 0.709677 | -5.60 | C(C)Oc1ncccc1 | 9 |
| 2ohu_ligand_3_34.mol2 | 2ohu | 0.64 | -6.82 | O(Cc1ccccn1)c1ccccc1 | 14 |
| 4n4s_ligand_2_7.mol2 | 4n4s | 0.60274 | -7.35 | COc1nc2c(cccc2C)cc1 | 13 |
| 3ftz_ligand.mol2 | 3ftz | 0.589744 | -8.09 | Nc1ccccc1OCc1cccnc1 | 16 |
100 ,
11
