LG190178

Ligand id: 2787

Name: LG190178

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 79.15
Molecular weight 458.3
XLogP 6.76
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
Synonyms
LG-190178
Database Links
CAS Registry No. 233268-81-0 (source: Scifinder)
ChEMBL Ligand CHEMBL197589
PubChem CID 15521397
Search Google for chemical match using the InChIKey AIKLCYAFOOBGEV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AIKLCYAFOOBGEV
Search UniChem for chemical match using the InChIKey AIKLCYAFOOBGEV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AIKLCYAFOOBGEV