Table 5. Physiochemical Characteristics, ADME, and Drug-Likeness Parameters Generated by SWISS ADME and ADMETlab 2.0^a.

	physiochemical characteristics				ADME								drug-likeness
molecule	nRB	nHB A	nHB D	TPSA (A2)	GI ABS	P-gp SUB	VD L/kg	CYP2C9 INH	CYP2D6 INH	CYP3A4 INH	CL mL/min/kg	T1/2 (h)	LIPVIO	GHO VIO	VEB VIO	EGA VIO	MUE VIO	F (%)
umbelliferone	0	3	1	50.44	high	no	0.603	no	no	no	13.575	0.834	yes	1	yes	yes	1	0.55
2-coumaric acid	2	3	2	57.53	high	no	0.276	no	no	no	4.228	0.909	yes	yes	yes	yes	1	0.85
daphnetin	0	4	2	70.67	high	no	0.551	no	no	no	16.080	0.890	yes	1	yes	yes	1	0.55
scopoletin	1	4	1	59.67	high	no	0.689	no	no	no	13.312	0.850	yes	yes	yes	yes	1	0.55
sinapic acid	4	5	2	75.99	high	no	0.450	no	no	no	7.776	0.933	yes	yes	yes	yes	yes	0.56
koumidine	1	2	2	39.26	high	yes	2.698	no	yes	no	11.457	0.228	yes	yes	yes	yes	yes	0.55
3,7-dihydroxy-3′,4′-dimethoxyflavone	3	6	2	89.13	high	no	0.712	yes	yes	yes	6.184	0.885	yes	yes	yes	yes	yes	0.55
bergenin	2	9	5	145.91	low	no	0.684	no	no	no	4.946	0.761	yes	1	1	1	yes	0.55
(methylsulfanyl)butyl glucosinolate	10	10	5	225.09	low	yes	0.895	no	no	no	1.030	0.443	yes	yes	1	1	1	0.11
isomajdine	4	8	1	89.82	high	no	1.333	no	yes	no	8.770	0.344	yes	yes	yes	yes	yes	0.55
p-coumaraldehyde	2	2	1	37.30	high	no	1.048	no	no	no	10.138	0.897	yes	2	yes	yes	1	0.55
eugenol	3	2	1	29.46	high	no	0.833	no	no	no	14.042	0.887	yes	yes	yes	yes	1	0.55
dehydrosalsolidine	2	3	0	30.82	high	no	1.421	no	no	no	9.037	0.740	yes	yes	yes	yes	yes	0.55
scoparone	2	4	0	48.67	high	no	0.882	no	no	no	11.015	0.814	yes	yes	yes	yes	yes	0.55
hydrocotarnine	1	4	0	30.93	high	yes	2.468	no	yes	no	13.790	0.586	yes	yes	yes	yes	yes	0.55
ellipticine	0	1	1	28.68	high	yes	1.235	no	yes	yes	7.423	0.275	yes	yes	yes	yes	yes	0.55
hulupinic acid	4	4	2	74.60	high	no	1.186	no	no	no	6.840	0.177	yes	yes	yes	yes	yes	0.85
2′,5-dimethoxyflavone	0	1	1	20.23	high	no	0.935	no	no	no	11.898	0.398	yes	yes	yes	yes	2	0.55
koumine	1	3	0	24.83	high	no	2.871	no	yes	yo	4.046	0.052	yes	yes	yes	yes	yes	0.55
vincanidine	1	3	2	52.57	high	yes	2.051	no	yes	yo	11.548	0.360	yes	yes	yes	yes	yes	0.55
myricetin	1	8	6	151.59	low	no	0.633	no	no	yes	7.716	0.945	1	yes	1	1	2	0.55
gardnutine	1	3	1	37.49	high	yes	3.279	no	yes	no	5.545	0.111	yes	yes	yes	yes	yes	0.55
tabersonine	3	3	1	41.57	high	yes	1.560	yes	yes	yes	7.066	0.144	yes	yes	yes	yes	yes	0.55
isocorydine	3	5	1	51.16	high	yes	1.489	no	yes	yes	7.697	0.404	yes	yes	yes	yes	yes	0.55
oxoglaucine	4	6	0	66.88	high	no	0.879	yes	yes	yes	6.990	0.418	yes	yes	yes	yes	yes	0.55
protopine	0	6	0	57.23	high	yes	2.131	yes	yes	yes	16.684	0.229	yes	yes	yes	yes	yes	0.55
chlorogenic acid	5	9	6	164.75	low	no	0.351	no	no	no	3.251	0.928	1	1	1	1	2	0.11
cryptopine	2	6	0	57.23	high	yes	2.005	yes	yes	yes	14.039	0.446	yes	yes	yes	yes	yes	0.55
ethylrhoeagenine	2	7	0	58.62	high	no	1.557	no	yes	yes	11.629	0.072	yes	yes	yes	yes	yes	0.55
S,R-noscapine	4	8	0	75.69	high	no	1.543	yes	yes	yes	5.492	0.127	yes	yes	yes	yes	yes	0.55
epsilon-viniferin	4	6	5	110.38	high	no	0.816	yes	no	no	11.765	0.681	yes	1	yes	yes	1	0.55

^anRB: num. rotatable bonds; nHB A: num. H-bond acceptors; nHB D: num. H-bond donors; TPSA: topological polar surface area; GI ABS: gastrointestinal absorption; P-gp SUB: P-glycoprotein substrate; VD: volume distribution, optimal 0.04-20L/kg; CYP INH: cytochrome P450 inhibitor; CL: clearance, high >15 mL/min/kg; LIP VIO: lipinski, YES is 0 violation; GHO VIO Ghose; VEB VIO: Veber; EGA VIO: Egan; MUE VIO: Muegge; F: bioavailability score.