MRS1093

Ligand id: 399

Name: MRS1093

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 64.99
Molecular weight 326.12
XLogP 4.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,7-diethoxy-5-hydroxy-2-phenylchromen-4-one
Synonyms
3,7-Diethoxy-5-hydroxyflavone | MRS-1093
Database Links
BindingDB Ligand 50051336
CAS Registry No. 176220-90-9 (source: Scifinder)
ChEMBL Ligand CHEMBL449090
PubChem CID 10568125
Search Google for chemical match using the InChIKey ZPEWNDIPSPULBP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZPEWNDIPSPULBP
Search UniChem for chemical match using the InChIKey ZPEWNDIPSPULBP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZPEWNDIPSPULBP