	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	115330-88-6	69,67	-3,97	388,502	5,4568	5	0	1	-20,966	0,2699881
	115330-89-7	74,6	-3,432	332,438	4,5443	4	2	0	-10,56	0,3465077
	115384-95-7	93,66	-4,421	337,402	1,9863	5	3	0	5,7312	0,4801
	115413-67-7	64,63	-0,817	187,194	-0,6449	5	1	0	-1,2816	0,5961001
	115439-61-7	99,62	-4,571	414,282	2,1266	5	2	0	-2,9834	0,3555763
	115473-65-9	63,6	-2,615	264,32	1,7112	4	1	0	1,4011	0,824006
	115482-82-1	46,53	-1,744	194,229	1,3613	3	1	0	1,1551	0,5053335
	115482-83-2	46,53	-2,014	208,256	1,8157	3	1	0	-3,85	0,3848795
	115502-60-8	25,02	-2,107	268,936	1,8145	2	1	0	-5,2528	0,4655847
	115516-52-4	9,23	-9,674	560,863	13,201	1	0	2	-3,5337	0,030953
	115525-96-7	106,86	-1,839	221,168	-0,4398	6	4	0	2,8123	0,9336972
	115525-98-9	251,35	-2,556	635,784	-2,3983	14	7	3	6,9183	0,5582659
	115525-99-0	231,12	-3,063	619,785	-1,4716	13	6	3	5,5918	0,5569654
	115537-80-9	1308,5	-10,326	3381,91	-19,03	83	45	3	-6,4968	0,1257942
	115566-02-4	143,42	-6,641	704,986	5,721	10	4	2	-0,45291	0,1155407
	115610-51-0	9,23	-4,409	288,473	5,3964	1	0	1	-7,4944	0,1332888
	1156-78-1	107,22	-2,431	286,238	1,2815	6	4	0	-0,093853	0,6784503
	115712-99-7	72,83	-4,466	420,588	4,1571	5	1	0	-3,7697	0,3048107
	115713-02-5	72,83	-4,466	420,588	4,1571	5	1	0	-3,1701	0,2480856
	115721-45-4	52,6	-7,428	777,761	6,3134	4	0	2	-12,7	0,0109779