Table 1.

Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of Artemisinin and its selected derivative compounds.

Entry	Compounds
	A	B	C	D	E
Properties/Lipophilicity/Drug-likeness
Molecular weight (g × mol−1)	282.33	266.33	218.33	266.33	284.35
Num. heavy atoms	20	19	16	19	20
Num. arom. heavy atoms	0	0	0	0	0
Fraction Csp3	0.93	0.87	0.67	0.93	1.00
Num. rotatable bonds	0	0	2	0	0
Num. H-bond acceptors	5	4	1	4	5
Num. H-bond donors	0	0	0	0	1
Molar Refractivity	70.38	69.71	69.24	69.29	71.34
TPSA (Ų)	53.99	36.92	17.07	44.76	57.15
Consensus Log Po/w	2.49	2.72	3.44	2.58	2.25
Lipinski’s Rule.	Yes	Yes	Yes	Yes	Yes
Bioavailability Score	0.55	0.55	0.55	0.55	0.55
PAINS	0 alert	0 alert	0 alert	0 alert	0 alert
Pharmacokinetics
GI absorption	High	High	High	High	High
BBB permeant	Yes	Yes	Yes	Yes	Yes
P-gp substrate	No	No	No	No	No
CYP1A2 inhibitor	Yes	Yes	No	Yes	Yes
CYP2C19 inhibitor	No	No	Yes	No	No
CYP2C9 inhibitor	No	No	Yes	No	No
CYP2D6 inhibitor	No	No	No	No	No
CYP3A4 inhibitor	No	No	No	No	No
Log Kp (cm/s)	−5.96	−6.05	−5.01	−5.90	−5.91

A: artemisinin, B: acetate of dihydroartemisinin, C: artemisinic aldehyde, D: deoxyartemisinin, and E: dihydroartemisinin.