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. 2024;25(3):839–856. doi: 10.31557/APJCP.2024.25.3.839

Table 5.

Medicinal Chemistry Properties of THC, CBD, and THCV

Molecule PAINS Brenka Leadlikenessb Synthetic Accessibilityc
THC 0 1 alert: isolated alkene No; 1 violation: XLOGP3>3.5 4.27
CBD 0 1 alert: isolated alkene No; 1 violation: XLOGP3>3.5 4.05
THCV 0 1 alert: isolated alkene No; 1 violation: XLOGP3>3.5 4.05

aBrenk model restrictions, ClogP/ClogD 0 to 4, HBD and HBA < 4 to 7, no. of heavy atoms 10 to 27, no. of rotatable bonds < 8, ring system < 5, no ring systems with fused rings > 2; bLeadlikeness considerations, MW 100 to 350 Da, ClogP 1 to 3.0; cSA scores, range from 1 (very easy to synthesize) to 10 (difficult to synthesize)