Design principles for balancing lipophilicity and permeability in beyond rule of 5 space

H Möbitz - ChemMedChem, 2024 - Wiley Online Library
An ab initio conformational analysis of oral beyond Rule of 5 (bRo5) drugs was
complemented with measured permeability and logP (octanol) to derive design principles …

Design principles for balanced lipophilicity and permeability in beyond Rule of 5 space

H Moebitz - ChemMedChem: chemistry enabling drug discovery, 2023 - oak.novartis.com
A conformational analysis of all oral bRo5 drugs using a QM-based workflow and
experimental structures revealed similar polar surface area (PSA) thresholds as for Ro5 …

Design Principles for Balancing Lipophilicity and Permeability in beyond Rule of 5 Space

H Möbitz - ChemMedChem - pubmed.ncbi.nlm.nih.gov
An ab initio conformational analysis of oral beyond Rule of 5 (bRo5) drugs was
complemented with measured permeability and logP (octanol) to derive design principles …

Design principles for balanced lipophilicity and permeability in beyond Rule of 5 space

H Moebitz - ChemMedChem: chemistry enabling drug discovery, 2023 - oak.novartis.com
A conformational analysis of all oral bRo5 drugs using a QM-based workflow and
experimental structures revealed similar polar surface area (PSA) thresholds as for Ro5 …