	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	85679-62-5	13,14	-3,496	216,323	5,201	1	0	1	-4,369	0,3282796
	85679-63-6	13,14	-3,859	216,323	5,3299	1	0	1	-6,4748	0,1842596
	85679-64-7	39,44	-3,656	260,332	4,899	3	0	0	-7,8533	0,1997276
	85679-65-8	39,44	-3,557	262,348	4,6342	3	0	0	-7,4071	0,3500197
	85679-66-9	39,44	-3,557	262,348	4,6342	3	0	0	-7,4071	0,3500197
	85679-69-2	50,44	-3,429	248,321	4,2063	3	1	0	-4,9604	0,3794834
	85-68-7	52,6	-4,061	312,364	4,2188	4	0	0	-6,4287	0,0597121
	85700-42-1	95,97	-3,988	446,538	4,8503	7	0	0	-21,472	0,2756645
	85700-43-2	95,97	-3,988	446,538	4,8503	7	0	0	-21,472	0,2756645
	85700-44-3	95,97	-3,988	446,538	4,8503	7	0	0	-21,472	0,2756645
	85700-73-8	57,53	-5,471	430,67	6,4466	3	2	1	-10,869	0,0838969
	85719-78-4	114,32	-2,084	327,332	-1,1049	8	3	0	1,7334	0,5098944
	85733-68-2	20,23	-5,213	366,587	6,2669	1	1	1	0,82941	0,3428186
	85733-69-3	20,23	-5,483	380,614	6,7213	1	1	1	1,331	0,3218959
	85733-70-6	20,23	-5,483	380,614	6,7213	1	1	1	-0,43059	0,1503239
	85733-71-7	20,23	-5,774	394,64	7,3944	1	1	1	-7,696	0,1586495
	85733-72-8	20,23	-5,913	408,667	7,394	1	1	1	1,3173	0,2726431
	85733-73-9	20,23	-5,877	408,667	7,7821	1	1	1	-6,171	0,0900176
	85733-74-0	20,23	-6,141	410,683	7,6462	1	1	1	-4,3683	0,1462444
	85733-75-1	20,23	-5,587	368,603	6,6075	1	1	1	-3,7895	0,1110226