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)