	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	454472-13-0	102,76	-3,355	369,42	2,5532	7	3	0	2,3765	0,7720507
	454476-11-0	138,45	-3,794	480,639	2,0652	7	6	1	1,5254	0,2202393
	454476-87-0	55,12	-6,004	436,681	5,313	3	2	1	0,28708	0,2978327
	454476-89-2	38,05	-6,184	426,73	5,8952	2	2	1	-1,1961	0,2092829
	4546-54-7	139,54	-2,071	267,244	-1,7215	9	4	0	-0,90819	0,6088897
	4549-02-4	69,64	-1,683	260,292	0,5081	5	2	0	7,238	0,9506691
	4551-72-8	58,88	-0,753	110,116	-0,4766	3	2	0	1,7404	0,9127078
	4568-28-9	37,3	-4,779	284,482	6,9713	2	1	1	-25,216	0,0454686
	4573-50-6	17,07	-2,288	152,236	2,4504	1	0	0	-6,7757	0,4638703
	4575-74-0	26,3	-7,42	470,779	8,4002	2	0	1	-3,6618	0,1135089
	457633-49-7	86,99	-3,277	352,469	3,0351	5	3	0	-7,8621	0,2413947
	45775-30-2	80,92	-0,554	148,157	-1,3564	4	4	0	-0,24665	0,7093718
	457938-81-7	66,76	-4,303	390,562	6,6413	4	2	1	-15,532	0,2165943
	457938-82-8	66,76	-4,303	390,562	6,6413	4	2	1	-4,8035	0,2183561
	457938-83-9	66,76	-4,303	390,562	6,6413	4	2	1	-4,8692	0,2182449
	457938-84-0	86,99	-3,95	408,577	5,5792	5	3	1	-4,064	0,1578597
	459165-95-8	87,99	-4,823	439,514	2,3191	6	5	0	4,3683	0,4972409
	459174-31-3	29,46	-3,494	244,333	4,0083	2	1	0	-3,0781	0,4012965
	459174-32-4	49,69	-3,016	276,375	4,4717	3	2	0	-1,5812	0,43362
	459174-33-5	60,69	-2,827	262,348	3,3523	3	3	0	-1,9903	0,4752583