. 2021 Mar 30;22(7):3595. doi: 10.3390/ijms22073595

Table 1.

Drug-likeness parameters prediction for tetrahydrocannabinol (THC), epifriedelanol (1), friedelin (2), α-amyrin (3) and α-amyrin acetate (4), β-amyrin acetate (5), and bauerenyl acetate (6).

Parameters	THC	(1)	(2)	(3)	(4)	(5)	(6)
Structural formula	C₂₁H₃₀O₂	C₃₀H₅₂O	C₃₀H₅₀O	C₃₀H₅₀O	C₃₂H₅₂O₂	C₃₂H₅₂O₂	C₃₂H₅₂O₃
Molecular weight (g/mol)	314.46	428.73	426.72	426.72	468.75	468.75	468.75
Blood–brain barrier (p.s.) ^a	1.00	0.96	0.99	0.84	0.83	0.83	0.83
MLogP ^b	4.39	7.07	6.92	6.92	7.08	7.08	7.08
TPSA ^c (Å²)	29.46	20.23	17.07	20.23	26.30	26.30	26.30
Human intestinal absorption (p.s.)	0.99	0.99	0.99	0.99	0.99	0.99	0.99
Human oral bioavailability	NSP ^d	0.5857	0.6857	NSP	NSP	NSP	NSP
Bioavailability score	0.55	0.55	0.55	0.55	0.55	0.55	0.55

^a p.s. = prediction score. ^b MLogP = Log P_oil/water. ^c TPSA = topological polar surface area. ^d NSP = negative score prediction.