	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	100007-33-8	169,3	-4,369	626,825	2,5943	10	7	2	-8,1161	0,2335985
	100007-38-3	169,3	-4,306	614,814	2,1734	10	7	2	-10,303	0,2433248
	100007-39-4	189,53	-3,907	630,813	1,3213	11	8	3	-10,561	0,2531256
	100015-16-5	69,67	-3,352	332,395	2,5213	5	0	0	-19,298	0,4157983
	100019-23-6	424,11	-4,553	1229,39	-2,0736	27	13	3	0,63444	0,3326624
	100019-24-7	161,84	-3,551	500,67	1,2764	8	8	2	-9,6473	0,3349176
	100019-25-8	149,07	-4,813	598,815	2,8385	9	6	2	-4,1393	0,2297991
	100-02-7	66,05	-1,78	139,11	0,3923	4	1	0	-7,5665	0,4850553
	100041-05-2	99,35	-3,92	308,292	1,9867	6	3	0	0,86566	0,5547458
	100045-73-6	223,83	-8,763	881,029	5,8473	17	1	3	-2,7809	0,0533055
	100045-74-7	251,52	-8,742	999,161	5,7248	20	1	3	-2,9223	0,0536216
	100045-78-1	251,24	-8,635	942,113	5,0508	19	2	3	2,6365	0,1111385
	100046-02-4	46,53	-3,326	268,395	3,3022	3	1	0	0,47832	0,6671162
	100046-03-5	69,67	-5,39	428,567	5,768	5	0	1	-8,462	0,1573536
	100046-04-6	69,67	-5,01	414,54	5,0775	5	0	1	1,124	0,3377197
	100082-10-8	69,67	-5,39	428,567	5,768	5	0	1	-8,462	0,1573536
	100101-16-4	141,61	-3,95	484,671	2,1285	7	7	1	-7,9523	0,3274774
	100101-28-8	205,77	-7,197	883,185	3,5895	14	6	3	0,56875	0,0985074
	100101-34-6	213,59	-2,405	580,733	-0,3384	11	8	3	-9,1209	0,3070068
	10015-87-9	129,17	-6,953	674,937	9,6616	8	2	2	-48,027	0,0786646