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. 2021 Dec 24;12:752211. doi: 10.3389/fphar.2021.752211

TABLE 2.

The parameters of drug-likeness of candidate compounds.

NO. Compound Molecular weight ALogP Hydrogen bond donor count Hydrogen bond acceptor count
1 Magnoflorine 342.4 2.7 2 4
2 Coclaurine 285.34 2.6 3 4
3 Vicenin Ⅱ 594.5 −2.3 11 15
4 Zivulgarin 608.5 −1.6 9 15
5 Camelliaside B 726.6 −2.5 11 19
6 Spinosin 608.5 −1.1 9 15
7 Isospinosin 608.5 −1.1 9 15
8 Isovitexin 432.4 0.2 7 10
9 Swertisin 446.4 0.5 6 10
10 Caaverine 267.32 2.6 2 3
11 Kaempferol-3-rutinoside 594.5 −0.9 9 15
12 6ʹʹʹ-Sinapoylspinosin 814.7 0.6 9 19
13 6ʹʹʹ-p-Coumaloylspinosin 754.7 0.7 9 17
14 6ʹʹʹ-Feruloylspinosin 784.7 0.7 9 18
15 N-nornuciferine 281.3 3 1 3
16 Jujuboside A 1207.3 −1.6 14 26
17 Jujuboside B 1045.2 0.5 11 21
18 Ceanothic acid 486.7 7.6 3 5
19 Betulinic acid 456.7 8.2 2 3
20 Palmitic acid 256.42 6.4 1 2
21 Oleic acid 282.5 6.5 1 2