3,5-dimethyl PPP

Ligand id: 3397

Name: 3,5-dimethyl PPP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.39
Molecular weight 309.19
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Synonyms
3,5-DMPPP
Database Links
ChEBI CHEBI:203463
ChEMBL Ligand CHEMBL304824
GtoPdb PubChem SID 178100410
PubChem CID 11722867
Search Google for chemical match using the InChIKey DOYZAIRDDZPMQZ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey DOYZAIRDDZPMQZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DOYZAIRDDZPMQZ