CNS MPO Library – largest commercially available diversity set specifically designed for Central Nervous System (CNS) drug discovery via Multi-Parameter Optimization for improved BBB-permeability. Unique chemistry with strong IP potential.
CNS gentle Multi-Parameter Optimization (gMPO) for selecting BBB-permeable compounds it is:
Focus on Markush novelty molecules
Use of modified MPO and pMPO systems
Desirability thresholds for clogP, clogD7 _4 , HBD, pKa
Custom lead-like desirability thresholds for MW 280-400
Custom lead-like desirability thresholds for PSA 60-80
Custom diversity clustering
No more than one hydrogen bond donor.
No more than one strongly basic amine.
No free carboxylic acid functionality.
No undesirable chemical functionalities, such as electrophilic groups, acid labile groups, toxicophoric groups, PAINS structural fragments
Medicinal and Computational Chemistry Dept., ChemDiv, Inc.
12760 High Bluff Dr, San Diego, CA, 92130
Phone: + 1 916 234 0888
Fax: +1 858 794 4931
You can buy this library or customize your own library from our discovery collection of 1 600 000 compounds and 60 000 building blocks.