digeranyl bisphosphonate

Ligand id: 3187

Name: digeranyl bisphosphonate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 134.68
Molecular weight 448.21
XLogP 3.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptadeca-2,6,11,15-tetraen-9-yl]phosphonic acid
Database Links
ChEMBL Ligand CHEMBL258994
PubChem CID 11606263
RCSB PDB Ligand 749
Search Google for chemical match using the InChIKey SQERRIVHBWCION-IWGRKNQJSA-N
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Search UniChem for chemicals with the same backbone SQERRIVHBWCION