compound 11 [PMID: 18800762]

Ligand id: 3191

Name: compound 11 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 154.91
Molecular weight 346.13
XLogP 1.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1-hydroxy-1-phosphonododecyl)phosphonic acid
Synonyms
bisphosphonate, 11
Database Links
CAS Registry No. 16610-63-2 (source: Scifinder)
ChEMBL Ligand CHEMBL416301
DrugBank Ligand DB07873
PubChem CID 4395717
RCSB PDB Ligand H23
Search Google for chemical match using the InChIKey KKVZONPEMODBBG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KKVZONPEMODBBG
Search UniChem for chemical match using the InChIKey KKVZONPEMODBBG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KKVZONPEMODBBG