TABLE 6.

ADME parameters and drug similarity of investigated marine natural products.

MNP	S	MW	QPLogP o/w	QPlogS	QPLogK	QPPCaco	QPlogBB	PHOA	RO5	JRO3	The most similar drug (%)
1	11	600.71	−3.39	2.00	−3.19	0	−5.32	0	3	1	Trientine (50)
2	1	640.76	1.53	−4.29	−0.83	0	−3.40	7	2	1	Sulfamazone (65.2)
3	11	818.97	2.00	−5.16	−0.84	0	−4.83	0	3	2	Dirithromycin (60.45)
4	11	798.96	1.78	−3.96	−0.91	0	−3.88	0	3	2	Monoxerutin (64.25)
5	1	638.74	1.00	−3.17	−1.01	0	−3.00	6	2	1	Sulfamazone (69.7)
6	5	718.85	2.16	−6.24	−0.52	0	−3.80	0	3	2	Azithromycin (65.70)
7	11	819.04	7.21	−10.30	1.40	36	−2.68	59	3	2	Rifaximin (56.25)
8	3	456.35	−1.04	−2.04	−1.47	0	−3.68	0	2	1	Methotrexate (79.50)
9	2	702.85	3.34	−4.86	−0.26	1	−3.12	9	3	2	Cefotiam (66)
10	1	599.60	3.22	−4.24	−0.13	9	−2.45	23	3	2	Amprenavir (68.5)
11	9	618.44	−2.24	−0.86	−1.25	0	−4.93	0	3	2	Lymecycline (67.23)

S (STARS) = Number of property/descriptor values falling outside the 95% range of similar values for known drugs. Recommended value 0–5. MW = Molecular weight Recommended values 130.0–725.0. QPlogPo/w = Predicted octanol/water partition coefficient. Recommended values –2.0–6.5. QPlogK = hsa Serum Protein Binding.Recommended values −1.5–1.5). QPlogS = Predicted aqueous solubility, log S. Recommended values –6.5–0.5. QPPCaco = Predicted apparent Caco-2 cell permeability in nm/sec. Recommended values < 25 poor, >500 great. QPlogBB = Predicted brain/blood partition coefficient. Recommended values –3.0–1.2. PHOA = Predicted human oral absorption on 0–100% scale. Recommended values > 80% is high <25% is poor. RO5 = Rule of Five, The rules are: mol_MW < 500, QPlogPo/w < 5, donorHB ≤5, and accptHB ≤10. Maximum is 4. JRO3 = Jorgensen Rule of 3 Violations. Maximum is 3.