Systematically Investigating the Pharmacological Mechanism of Momordica grosvenori in the Treatment of Spinal Cord Injury by Network Pharmacology and Experimental Verification

Table 2

Pharmacokinetic parameters of candidate active compounds in Momordica grosvenori.

Drug ID	Molecule name	SMILES	OB (%)	DL (%)
M01	Beta-sitosterol	CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C	36.91	0.75
M02	Kaempferol	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O	41.88	0.24
M03	Mandenol	CCCCCC=CCC=CCCCCCCCC(=O)OCC	42	0.19
M04	Supraene	CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C	33.55	0.42
M05	ZINC03860434	No result	43.59	0.35
M06	Perlolyrine	C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO	65.95	0.27
M07	Flazin	C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O	94.28	0.39
M08	11-Oxomogroside IIA1	CC(CCC(C(C) (C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C3CCC4(C3(CC(=O)C5(C4CC=C6C5CCC(C6(C)C)O)C)C)C	37.63	0.22
M09	11-Oxomogroside IIE	No result	32.77	0.21
M10	(S)-2-Methylbutyl-4-(4-decyloxybenzylideneamino)	CCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC(C)CC	45.01	0.71
M11	Mogroester	No result	41.69	0.31

Oral bioavailability (OB) > 30 and drug-like properties (DL) > 0.18.