Common name
pyridin-2-ylmethanamine
IUPAC name
pyridin-2-ylmethanamine
SMILES
c1cc(ncc1)CN
Common name
pyridin-2-ylmethanamine
IUPAC name
pyridin-2-ylmethanamine
SMILES
c1cc(ncc1)CN
INCHI
InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
FORMULA
C6H8N2
Common name
pyridin-2-ylmethanamine
IUPAC name
pyridin-2-ylmethanamine
Molecular weight
108.141
clogP
1.008
clogS
-1.399
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
1
Rotatable Bond
1
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oj9_ligand_2_4.mol2 | 2oj9 | 1 | -5.78 | C(c1ccccn1)[NH3+] | 8 |
| 4kb8_ligand_1_2.mol2 | 4kb8 | 0.813953 | -6.33 | C([NH2+]C)c1ncccc1 | 9 |
| 1rw8_ligand_frag_1.mol2 | 1rw8 | 0.771429 | -6.65 | c1cccc(n1)C | 7 |
| 3hmm_ligand_frag_0.mol2 | 3hmm | 0.771429 | -6.61 | c1(ccccn1)C | 7 |
| 1vjy_ligand_frag_0.mol2 | 1vjy | 0.771429 | -6.60 | Cc1ccccn1 | 7 |
| 3gxl_ligand_frag_0.mol2 | 3gxl | 0.771429 | -6.52 | Cc1ccccn1 | 7 |
| 4hgs_ligand_1_1.mol2 | 4hgs | 0.771429 | -6.51 | c1cc(ncc1)C | 7 |
106 ,
11
