	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	115890-59-0	66,76	-3,819	362,508	4,0359	4	2	0	-2,6112	0,3736579
	115921-38-5	214,39	-9,603	959,076	10,653	14	4	3	-57,731	0,0109894
	1159-27-9	26,3	-4,189	302,456	3,9241	2	0	0	0,81306	0,3590469
	115940-72-2	60,69	-3,591	320,471	3,8438	3	3	0	-13,675	0,3763128
	115952-25-5	99,38	-4,478	462,624	2,9057	6	4	0	-6,7418	0,3100189
	115956-84-8	37,3	-4,323	280,45	6,4669	2	1	1	-26,101	0,2385815
	115982-19-9	128,84	-5,899	531,516	4,8623	10	3	1	3,0275	0,2038639
	115982-20-2	117,84	-6,213	545,542	5,138	10	2	2	3,0275	0,1803812
	115982-21-3	119,61	-5,881	501,49	4,9323	9	3	1	3,0275	0,2149105
	115982-22-4	152,09	-7,257	457,393	3,4834	9	6	1	1,7351	0,2246437
	115982-31-5	246,06	-2,932	539,496	0,7131	13	11	3	1,0583	0,5650358
	115982-32-6	225,83	-3,228	523,497	1,0588	12	10	3	1,0583	0,5721297
	115982-33-7	165,14	-2,603	385,375	0,2947	9	7	1	1,2983	0,7658006
	115982-34-8	165,14	-3,681	441,482	1,7811	9	7	1	-6,8851	0,3663595
	115993-58-3	218,31	-3,637	580,731	-0,3512	12	8	3	3,0873	0,5587954
	116003-10-2	17,07	-2,146	128,214	2,4145	1	0	0	-1,4602	0,3327579
	116079-51-7	61,83	-4,232	390,518	3,5057	5	0	0	-8,0091	0,2734719
	116079-52-8	75,99	-3,448	366,496	2,7326	5	2	0	-8,4028	0,3188093
	116079-53-9	78,9	-4,326	420,544	3,4997	6	0	0	-5,639	0,2610539
	116079-54-0	72,83	-3,916	378,507	3,0151	5	1	0	-7,2977	0,2975515