Bulletin of the National Research Centre

Table 3 Computational parameters of drug-likeness and ADME properties of compounds isolated from Malagasy medicinal plants traditionally used to treat cancer

From: In silico studies on the interaction of four cytotoxic compounds with angiogenesis target protein HIF-1α and human androgen receptor and their ADMET properties

Compound	MW (Da)	BioS	nRB	Log P	HBD	HBA	TPS (Å²)	Log S	Log Kp (cm/s)
1	374.34	0.55	1	2.32	2	6	108.74	− 4.76	− 5.94
2	418.40	0.56	3	2.65	2	7	117.97	− 3.80	− 7.25
3	290.40	0.55	2	3.95	0	1	9.23	− 5.72	− 3.78
4	464.64	0.55	2	4.25	1	4	63.60	− 6.54	− 4.68

MW, molecular weight; BioS, bioavailability score; nRB, number of rotatable bond; Log P, partition coefficient; HBD, hydrogen bond donor; HBA, hydrogen bond acceptor; TPS, total polar surface; Log S, solubility; Log K_p skin permeation

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