	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	799246-90-5	58,72	-2,519	396,122	1,5591	4	2	0	1,43	0,7596245
	799246-91-6	61,8	-2,987	452,186	2,4217	5	2	0	4,6776	0,7408667
	799246-92-7	92,18	-5,911	636,177	4,8908	7	3	1	2,3442	0,2732627
	79943-68-3	386,07	-4,269	1125,33	-4,4167	26	12	3	-3,4893	0,2156894
	79950-82-6	57,53	-3,248	234,294	3,0926	3	2	0	-5,1381	0,427022
	79950-84-8	63,6	-2,373	250,293	1,8909	4	1	0	-2,9357	0,4848429
	79950-85-9	57,53	-3,02	232,278	2,8404	3	2	0	-2,0418	0,4869401
	799804-60-7	173,49	-3,933	615,026	0,5522	13	1	2	-1,4991	0,0398933
	799804-61-8	198,65	-2,13	554,543	-1,0915	13	4	2	1,9704	0,1322672
	799808-28-9	63,6	-4,35	400,557	6,6187	4	1	1	-4,2826	0,1729647
	799808-36-9	35,53	-4,826	400,601	7,755	3	0	1	-9,4689	0,1806802
	799808-38-1	35,53	-5,126	414,627	8,1613	3	0	1	-12,654	0,1657991
	8002-89-9	69,3	-1,481	180,167	-0,3112	6	1	0	2,5134	0,2022587
	80108-30-1	89,98	-2,06	345,35	1,2333	7	0	0	0,42323	0,4325334
	80115-67-9	40,62	-1,641	186,185	0,4785	4	0	0	-2,9382	0,5077392
	80155-00-6	33,37	-4,557	230,306	4,0051	2	1	0	-3,6094	0,3503683
	80173-30-4	305,55	0,729	475,415	-7,4176	18	8	2	1,6459	0,7218562
	802-31-3	94,83	-3,355	350,453	3,5406	5	3	0	-11,635	0,3865713
	80243-67-0	20,23	-4,071	286,457	4,7265	1	1	0	-4,3249	0,3286897
	80243-70-5	72,83	-4,321	404,545	4,2669	5	1	0	-6,5782	0,306787