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. 2022 Aug 21;2022:2044577. doi: 10.1155/2022/2044577

Table 1.

Molinspiration predicted drug-likeness properties of the phytocompounds.

S. no. Phytocompounds mlogP (<5) MW (<500) HBA count (<10) HBD count (<5) RB count (<10) No. of violations
1 Apigenin 2.46 270.24 5 3 1 0
2 Baicalein 2.68 270.24 5 3 1 0
3 Berberine 0.20 336.37 5 0 2 0
4 Betulin 7.16 442.73 2 2 2 1
5 Chebulagic acid 0.07 954.66 27 13 5 3
6 Curcumin 2.30 368.38 6 2 8 0
7 Ellagic acid 0.94 302.19 8 4 0 0
8 Epigallocatechin gallate 2.25 458.38 11 8 4 2
9 Fisetin 1.97 286.24 6 4 1 0
10 Geraniin -0.78 952.65 27 14 3 3
11 Glycyrrhizic acid 1.97 822.94 16 8 7 3
12 Hypericin 5.77 504.45 8 6 3 0
13 Hyperoside -0.36 464.38 12 8 4 2
14 Kaempferol 2.17 286.24 6 4 1 0
15 Lupeol 8.29 426.73 1 1 1 1
16 Mimusopic acid 4.26 486.69 5 4 2 0
17 Mulberroside C 1.96 458.46 9 5 3 0
18 Myricetin 1.39 318.24 8 6 1 1
19 Neoandrographolide 1.17 480.60 8 4 7 0
20 Pentagalloylglucose 2.76 940.68 26 15 16 3
21 Piperine 3.33 285.34 4 0 3 0
22 Quercetin 1.68 302.24 7 5 1 0
23 Rosmarinic acid 1.63 360.32 8 5 7 0
24 Rutin -1.06 610.52 16 10 6 3
25 Torvoside 2.67 740.93 13 7 4 3

MW: molecular weight; RB: rotatable bond.