. 2021 Oct 8;9:744376. doi: 10.3389/fchem.2021.744376

TABLE 2.

ADME properties of screened top four compounds from sesame (S. indicum L.).

Drug-likeliness properties	MW (g/mol) (range ≤500 g)	Consensus log Po/w (range ≤5)	No. of H bond acceptors (range ≤10)	No. of H bond donors (range ≤5)	Molar refractivity (range 40–130)	Lipinski	Veber	Bioavailability score (range 0.4–0.6)	Synthetic accessibility (range >6)	TPSA (Å2) (range >100)	No. of rotatable bonds (range 1–10)	Solubility (mg/ml)
Phytochemical	MW (g/mol) (range ≤500 g)	Consensus log Po/w (range ≤5)	No. of H bond acceptors (range ≤10)	No. of H bond donors (range ≤5)	Molar refractivity (range 40–130)	Lipinski	Veber	Bioavailability score (range 0.4–0.6)	Synthetic accessibility (range >6)	TPSA (Å2) (range >100)	No. of rotatable bonds (range 1–10)	Solubility (mg/ml)
Sesamin (CID_72307)	354.35	2.79	6	0	90.00	Yes	Yes	0.55	4.12	55.38	2	8.98e-03
Sesaminol (CID_94672)	370.35	2.37	7	1	92.02	Yes	Yes	0.55	4.31	75.61	2	3.62e-02
Sesamolin (CID_131801617)	370.35	2.74	7	3	91.52	Yes	Yes	0.55	4.43	64.61	3	1.75e-02
Sesamolinol (CID_443019)	372.37	2.56	7	1	93.98	Yes	Yes	0.55	4.50	75.61	4	2.80e-02