	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	405157-89-3	38,69	-2,665	266,379	2,4553	3	1	0	-7,0532	0,4477701
	405157-90-6	38,83	-2,776	250,337	1,5936	3	0	0	-7,0319	0,0987611
	405157-91-7	46,53	-2,528	252,353	1,2093	3	1	0	-8,8575	0,2782339
	405157-92-8	52,99	-2,615	252,353	1,2776	3	2	0	-7,3571	0,0997991
	40517-86-0	24,39	-5,988	300,404	4,4753	2	1	0	0,8151	0,4198138
	405199-45-3	38,69	-1,896	194,229	0,8698	3	1	0	-4,6662	0,2902962
	405202-89-3	80,67	-5,387	508,696	7,5568	5	1	2	1,1375	0,2437086
	405202-90-6	80,67	-5,387	508,696	7,5568	5	1	2	1,1375	0,2437086
	40522-46-1	29,1	-4,576	243,349	4,2543	2	1	0	-16,28	0,3291837
	40524-74-1	170,51	1,102	298,235	-6,0724	10	4	0	-28,053	0,4790678
	405274-15-9	96,22	-2,402	360,405	0,6735	6	3	0	-16,557	0,4417148
	405274-17-1	116,45	-2,349	406,473	1,078	7	4	0	-19,923	0,420029
	405283-36-5	172,21	-2,613	504,486	-0,3201	11	5	2	-4,3949	0,2156751
	405283-37-6	192,44	-2,317	520,485	-0,6658	12	6	3	-4,3949	0,3518417
	40600-59-7	20,23	-6,011	384,645	6,9303	1	1	1	-0,52865	0,1056372
	40663-80-7	88,38	-12,493	823,207	11,639	6	3	2	-0,79279	0,08379
	40663-81-8	37,3	-4,135	268,439	6,4167	2	1	1	-24,941	0,2470861
	40678-46-4	65,12	-2,314	230,266	-0,9619	4	3	0	0,51167	0,7708144
	4069-10-7	37,3	-4,061	288,429	3,4962	2	1	0	1,56	0,4124154
	4071-37-8	64,63	-1,362	241,286	0,8987	5	1	0	-16,427	0,3832544