	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	827038-28-8	71,44	-5,602	420,547	7,4238	4	1	1	-3,4649	0,1623298
	827038-29-9	97,99	-4,659	442,594	7,455	5	4	1	-0,18872	0,0744821
	827038-30-2	86,99	-4,787	456,621	7,8829	5	3	1	-1,3008	0,0581539
	827038-31-3	97,99	-4,659	442,594	7,455	5	4	1	-0,18872	0,0744821
	827038-32-4	86,99	-4,787	456,621	7,8829	5	3	1	-1,3008	0,0581539
	827038-33-5	71,44	-4,355	424,579	7,9213	4	1	1	-3,2112	0,1547597
	827038-34-6	60,44	-4,483	438,606	8,3492	4	0	1	-4,4614	0,1425519
	827038-35-7	71,44	-4,355	424,579	7,9213	4	1	1	-3,2112	0,1547597
	827038-36-8	60,44	-4,483	438,606	8,3492	4	0	1	-4,4614	0,1425519
	82729-37-1	12,53	-6,196	426,726	11,668	1	0	1	-1,2612	0,1285232
	82729-39-3	20,23	-6,068	426,726	12,144	1	1	1	-15,397	0,1340566
	827348-07-2	57,53	-5,641	410,596	6,19	3	2	1	-4,1929	0,1836144
	82769-15-1	9,23	-4,571	331,68	4,7802	1	0	0	-5,0628	0,0383114
	82798-98-9	17,07	-4,087	286,457	6,9297	1	0	1	-1,46	0,2765796
	82810-44-4	257	1,343	395,352	-5,9388	15	9	2	5,7762	0,3406032
	82866-33-9	20,23	-6,732	426,726	8,2761	1	1	1	-2,0013	0,1423106
	82868-99-3	72,83	-4,814	298,293	2,8916	5	1	0	-0,97635	0,2144185
	82873-41-4	49,69	-3,509	288,47	4,8434	3	2	0	-25,055	0,2019733
	82915-89-7	40,46	-6,608	568,883	11,827	2	2	2	0,24006	0,1485318
	82915-90-0	40,46	-6,608	568,883	11,827	2	2	2	0,24006	0,1485318