Blood brain barrier permeable: Van de Waterbeemd filter
In contrast to drug-likeness, logP as descriptor of the blood-brain barrier is not an effective classifier of CNS (Central Nervous System)-likeness. Van de Waterbeemd developed a filter for CNS-likeness with PSA (Polar Surface Area) and MW (Molecular Weight) as descriptors.
- MW: < 450
- PSA: < 90 A²
Van de Waterbeemd, Han; Camenisch, Gian; Folkers, Gerd; Chretien, Jacques R.; Raevsky, Oleg A.
Estimation of Dlood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors.
Journal of Drug Targeting (1998), 6(2), 151-165.