	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	40380-25-4	136,75	-3,877	356,49	2,1724	5	1	0	4,9268	0,7852983
	403805-72-1	34,14	-3,733	298,424	4,2705	2	0	0	-1,1033	0,4464816
	403805-74-3	37,3	-3,518	300,44	4,4828	2	1	0	1,1111	0,6195655
	403985-49-9	99,38	-2,898	384,511	3,0587	6	4	0	-8,8386	0,3988386
	403985-51-3	105,45	-3,308	426,548	3,5433	7	3	0	-5,4944	0,3578639
	4042-36-8	66,4	-0,69	129,115	-1,1153	4	2	0	-8,8934	0,4933446
	40432-84-6	53,09	-2,953	254,083	1,9074	3	2	0	-1,498	0,5318952
	40446-06-8	26,3	-6,649	428,698	7,6671	2	0	1	-1,7936	0,1502903
	40451-47-6	71,8	-1,997	256,312	-0,0301	6	1	0	3,5936	0,9356925
	404581-88-0	151,98	-7,633	775,073	10,716	10	4	2	-33,757	0,0692872
	404582-92-9	151,98	-7,465	727,029	9,9073	10	4	2	-29,587	0,0720702
	404913-76-4	12,53	-4,331	288,473	6,2073	1	0	1	-1,2009	0,3030355
	404913-77-5	59,06	-4,076	334,454	4,7459	4	1	0	-2,3193	0,0790879
	4050-34-4	37,38	-0,353	125,127	-0,3122	3	0	0	-0,35724	0,6968828
	405095-94-5	20,23	-6,308	410,683	8,1937	1	1	1	-10,311	0,1099882
	405157-83-7	60,69	-2,544	252,353	1,4957	3	3	0	-4,7685	0,4656012
	405157-84-8	40,46	-2,365	224,343	2,1516	2	2	0	-6,1409	0,4627326
	405157-85-9	46,53	-2,445	250,337	1,8371	3	1	0	-5,3223	0,4631953
	405157-87-1	37,3	-2,788	224,343	2,4744	2	1	0	-5,3455	0,4517788
	405157-88-2	46,53	-2,705	250,337	1,8117	3	1	0	-3,9983	0,4647591