. 2020 Sep 24:1–16. doi: 10.1080/07391102.2020.1824816

Table 2.

Evaluation of physicochemical properties and toxicity risk parameters of selected lead drugs using OSIRIS Data Warrior.

Name drug	Physicochemical properties							Toxicity risks parameters
Name drug	MW^a	CLP^b	CLS^c	HBA^d	HBD^e	PSA^f	RB^g	DL^h	MUTⁱ	TUM^j
Diammonium Glycyrrhizinate	857.000	0.982	−5.144	16	8	267.04	7	−4.291	NO	NO
Digitoxin	764.946	2.747	−6.086	13	5	182.83	7	3.325	NO	NO
Ivermectin	1736.18	5.410	−6.61	14	3	170.06	8	5.231	NO	NO
Rapamycin (Sirolimus)	914.182	6.510	−6.713	14	3	195.43	6	2.378	NO	NO
Rifaximin	785.888	5.843	−9.904	14	5	198.38	3	6.195	High	high
Amphotericin B	924.087	0.323	−5.077	18	12	319.61	3	−0.137	NO	NO

^a Molecular weight (g/mol),^b cLogP(lipophilicity),^c cLogS(solubility), ^d H-bond acceptors,^eH-bond donors , ^f Polar Surface Area(A²), ^g Rotatable bonds, ^h Drug likeness, ⁱMutagenic, ^j Tumorigenic.