Table 3.

Physicochemical properties and toxicity risks assessment employing the OSIRIS Property Explorer (https://www.organic-chemistry.org/prog/peo/)

S. no	Compounds	Solubility (Log S)	TPSA (Å)	Druglikeness	Drug score	Mutagenic	Tumorigenic	Reproductive effect	Irritants
1	3-O-β-D-Glucopyranoside (3-glucogallic acid)	−0.63	177.1	−3.44	0.48	No	No	No	No
2	3-O-(6-Galloylglucoside)	−1.32	243.9	1.77	0.71	No	No	No	No
3	3-O-Dodecanoyl (3-lauroylgallic acid)	− 4.04	104.0	−25.23	0.3	No	No	No	No
4	3-O-Methyl gallic acid	−1.06	86.99	1.1	0.85	No	No	No	No
5	4-O-(6-Galloylglucoside)	−1.32	243.9	1.99	0.72	No	No	No	No
6	4-O-Methyl gallic acid	−1.05	86.99	1.24	0.69	No	Medium risk	No	No
7	Epicatechin gallate	−2.16	197.3	1.58	0.7	No	No	No	No
8	Epicatechin	−1.76	110.3	1.92	0.87	No	No	No	No
9	Epigallocatechin gallate	−2.16	197.3	1.58	0.7	No	No	No	No
10	Epigallocatechin	−1.47	130.60	1.10	0.82	No	No	No	No
11	Gallic acid	−0.74	97.99	0.12	0.27	Yes	No	Yes	No
12	Lauryl gallate	−3.87	86.99	−20.89	0.28	No	No	No	No
13	Octyl gallate	−2.79	86.99	−20.89	0.25	No	No	No	Yes
14	Propyl gallate	−1.44	86.99	0.54	0.17	Yes	Yes	Yes	No
15	Pyrogallol	−0.73	60.69	−3.5	0.07	Yes	Yes	Yes	Yes
16	Resorcinol	−1.02	40.46	− 1.94	0.12	Yes	Yes	No	Yes
	Control drugs
17	Dexamethasone	−3.25	94.83	3.18	0.8	No	No	No	No
18	Hydroxychloroquine	−3.55	48.39	6.54	0.48	Yes	No	No	No
19	Remdesivir	−4.99	213.30	−30.39	0.05	No	Yes	Yes	Yes

Solubility, ranging 0 (highly soluble) to −6 (poorly soluble); TPSA, topological polar surface area ≤ 130 Ų; druglikeness, scores with positive value are likely to be an oral drug; drug score, 0-1.0