Physico-chemical descriptors predicted by QikProp.

S. no.	Code	log Po/wa	log Sb	P Caco c	PMDCKd	Percent human oral absorptione
1	6a	2.617	−5.101	518.855	243.416	90.861
2	6b	2.716	−5.324	528.557	248.339	91.584
3	6c	3.71	−6.648	384.776	176.201	94.936
4	6d	3.106	−5.833	516.592	597.193	93.69
5	6e	3.181	−5.944	516.69	642.193	94.131
6	6f	1.939	−5.296	63.379	25.084	57.594
7	6g	3.19	−5.952	515.4	640.157	94.163
8	6h	3.036	−5.633	725.254	349.588	95.917
9	6i	3.271	−6	593.317	669.692	82.777
10	6j	3.661	−6.454	664.701	1490.213	85.946
11	6k	3.706	−6.608	647.779	1756.658	86.006
12	6l	3.631	−6.497	647.197	1632.012	100
13	6m	1.668	−4.415	278.843	124.409	80.479
14	6n	1.052	−4.03	184.188	79.466	73.651
15	7a	2.717	−4.828	525.517	246.796	91.549
16	7b	3.212	−5.149	906.183	444.739	100
17	7c	3.972	−6.094	859.818	420.196	100
18	7d	3.202	−5.552	525.206	607.987	94.385
19	7e	3.275	−5.66	523.982	652.031	94.791
20	7f	1.984	−4.505	105.505	43.514	61.814
21	7g	3.249	−5.191	873.968	1133.125	100
22	7h	3.294	−5.708	559.505	597.557	82.453
23	7i	3.758	−6.416	602.205	1614.986	85.746
24	7j	3.682	−6.301	601.965	1501.502	100
25	7k	1.146	−3.284	301.161	135.205	78.021
26	7l	1.767	−4.143	281.02	125.458	81.119
27	7m	3.422	−5.748	637.589	1033.633	100

^aPredicted octanol/water partition co-efficient log P (acceptable range: −2.0 to 6.5).

^bPredicted aqueous solubility; S in mol L⁻¹ (acceptable range: −6.5 to 0.5).

^cApparent Caco-2 permeability (nm s⁻¹) (<25 poor, >500 great).

^dApparent MDCK permeability (nm s⁻¹) (<25 poor, >500 great).

^ePercentage of human oral absorption (<25% poor and >80% is high).