Table 1.

Molinspiration results depicting Molecular properties of ALL the 30 compounds filtered from 536 compounds.

Compound ID	miLogP	TPSA	Natoms	MW	nON	nOHNH	nrotB	Volume
EF31 (CL)	0.66	54.88	21	277.33	4	1	2	256.12
UBS109	1.25	46.09	22	291.35	4	0	2	273.06
2	2.90	66.76	23	308.33	4	2	2	277.05
5	1.69	115.05	25	340.33	6	4	6	297.13
8	1.73	66.76	17	234.25	4	2	4	216.00
9	6.52	65.00	31	432.60	5	1	9	441.07
10	5.34	89.14	31	426.51	6	2	9	404.63
64	1.34	63.16	25	331.38	5	0	3	303.22
71	1.80	65.11	23	306.32	5	0	4	271.58
α-pinene	3.54	0.00	10	136.24	0	0	0	151.81
acsjm5	2.97	63.58	21	284.31	4	1	5	260.96
acsjm6	2.52	63.58	19	256.26	4	1	5	227.84
Bisacurone	1.87	57.53	18	252.35	3	2	4	258.48
Curcumol	4.38	29.46	17	236.35	2	1	1	242.05
1d	2.54	15.79	10	131.18	1	1	0	129.58
242	2.46	29.96	16	209.25	2	0	3	197.70
E21CH	2.24	66.76	18	248.28	4	2	5	232.81
46	5.83	79.90	31	424.54	5	2	8	412.21
155	1.48	42.85	18	236.27	3	0	4	220.96
180	0.68	74.60	16	220.22	4	2	4	198.83
181	0.99	63.60	17	234.25	4	1	5	216.35
182	1.17	54.37	15	204.22	3	1	4	190.81
184	0.70	83.83	18	250.25	5	2	5	224.37
185	3.38	72.84	25	348.44	5	1	8	341.15
3(CCR)	2.79	43.69	20	281.44	3	2	6	298.49
91	2.25	57.53	18	252.35	3	2	0	253.50
84	2.88	34.14	17	234.34	2	0	3	239.94
88	2.28	63.60	19	262.31	4	1	0	240.16
95	2.54	57.53	19	264.37	3	2	0	263.52
103	2.88	34.14	17	234.34	2	0	3	239.94

CL Curcuma longa L., CCR Curcuma caesia Roxb., TPSA topological polar surface area, MW molecular weight, nOHNH H-bond donor, nON H-bond acceptor.

Bold compounds with minimum and maximum TPSA and compounds that did not fall in the expected range for miLogP and molecular weight parameters.