	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	115178-52-4	191,59	-3,989	648,852	1,7111	11	6	3	-8,6594	0,2433378
	115178-53-5	211,82	-3,59	664,851	0,859	12	7	3	-8,6594	0,2509314
	115178-54-6	191,59	-3,761	646,836	1,4589	11	6	3	1,4019	0,4521721
	115181-61-8	113,81	-1,554	253,305	-1,4432	7	3	0	7,5003	0,9592831
	115185-92-7	145,17	-2,768	503,587	-0,2815	11	4	2	-6,2112	0,2124485
	115193-15-2	160,07	-4,736	584,788	2,4738	9	7	2	-9,0632	0,2385248
	115195-57-8	20,23	-3,074	165,087	2,1117	1	1	0	-2,2456	0,495086
	115195-62-5	62,75	-0,566	172,204	-0,2258	3	1	0	-11,132	0,2945926
	115204-07-4	253,24	-4,391	793,952	1,6983	17	8	3	-18,297	0,2080811
	115211-19-3	79,15	-4,086	374,559	5,177	5	3	1	-25,252	0,2835609
	115267-16-8	94,45	-4,869	514,656	4,0798	7	2	1	-5,7504	0,1439973
	115268-43-4	97,75	-4,869	514,656	4,1349	7	2	1	-4,6113	0,0863968
	115276-12-5	90,56	-2,962	370,27	0,3064	5	2	0	-1,0412	0,4319525
	115276-17-0	60,69	-10,939	496,773	10,02	3	3	1	-14,61	0,0952237
	115276-18-1	60,69	-10,669	482,746	9,5654	3	3	1	-14,61	0,0983093
	115276-19-2	60,69	-12,855	506,768	10,106	3	3	2	-14,795	0,0930749
	115296-96-3	60,69	-10,939	496,773	10,02	3	3	1	-14,61	0,0952237
	115299-23-5	151,13	-1,628	407,291	-1,3975	9	4	0	-1,7564	0,4939122
	115305-06-1	20,23	-6,275	386,661	7,0348	1	1	1	-1,0058	0,1160465
	115305-07-2	20,23	-6,705	414,715	7,7075	1	1	1	0,84179	0,2259279