. 2021 Sep 16;12(1):73–89. doi: 10.1016/j.jtcme.2021.09.002

Table 3.

The physiochemical properties and drug-likeness in 6 potential natural products.

Compound	Physiochemical properties											Druglikeness rules
Compound	MW^a	logp	Alogp	HBA^a	HBD^a	TPSA^a	AMR^a	nRB^a	nAtom^a	RC^a	nRigidB^a	LR^a	GF^a	CR^a	VR^a	MR^a
Dioscin	795.92	2.836	−3.964	16	0	73.84	208.67	7	61	9	62	0	0	0	1	1
Celastrol	412.99	7.98	2.483	4	0	34.14	134.33	1	34	5	36	0	0	0	1	0
Saikosaponin C	863.91	2.417	−4.103	18	0	64.61	230.27	9	66	9	65	0	0	0	1	1
Epimedin C	771.9	0.258	−3.863	19	0	90.91	205.56	11	58	6	52	0	0	0	0	1
Torvoside K	675.93	2.734	−3.142	13	0	55.38	178.15	4	52	8	55	0	0	0	1	0
Amentoflavone	519.95	2.03	−0.839	10	0	52.6	157.86	3	40	6	42	0	0	0	1	0

MW: Molecular weight; HBA: Hydrogen bond acceptor; HBD: Hydrogen bond donor; TPSA: Topological polar surface area; AMR: molar refractivity; nRB: Number rotation bond; nAtom: Number atom; RC: Number of Ring; nRigidB: Number of rigid bond; LR: Lipinski's rule; GF: Ghose Filter; CR: CMC-50 like rule; VR: Veber rule; MR: MDDR-like rule.