	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	41060-02-0	13,14	-3,267	216,323	4,8027	1	0	0	-1,3044	0,4276643
	41060-03-1	13,14	-3,488	216,323	4,0508	1	0	0	-5,3695	0,386869
	41060-07-5	32,76	-4,696	428,591	3,8162	2	1	0	-9,0483	0,0511369
	41060-08-6	63,58	-4,861	344,449	5,4898	4	1	1	-6,8006	0,2472702
	41060-09-7	63,58	-4,861	344,449	5,4898	4	1	1	-6,8006	0,2472702
	41060-10-0	76,74	-4,489	428,567	7,6619	5	1	1	-6,3561	0,1475775
	41060-11-1	76,74	-4,489	428,567	7,6619	5	1	1	-6,3561	0,1475775
	41083-90-3	20,23	-6,142	384,645	7,3851	1	1	1	-4,8645	0,1526327
	41083-97-0	20,23	-5,878	382,629	7,521	1	1	1	-3,9323	0,1596736
	41107-17-9	106,42	-3,146	250,257	-0,3731	7	3	0	1,2434	0,8063957
	41115-68-8	27,82	-3,797	332,038	2,9359	2	2	0	0,1425	0,6032016
	41115-69-9	41,81	-3,881	318,011	2,5844	2	2	0	-2,1961	0,4391587
	4117-65-1	450,13	-4,019	993,174	-4,5154	24	12	3	8,3843	0,4329199
	412020-55-4	37,3	-2,341	162,187	1,5396	2	1	0	-1,0249	0,5969111
	41222-71-3	65,2	-2,504	283,33	0,8932	5	2	0	7,3467	0,9208624
	412328-23-5	58,56	-5,721	421,663	6,589	4	2	1	-17,264	0,1667709
	412328-24-6	58,56	-5,493	419,647	6,3368	4	2	1	-8,521	0,1077335
	412328-25-7	58,56	-5,493	419,647	6,3368	4	2	1	-8,521	0,1077335
	4128-17-0	26,3	-3,275	264,407	6,1417	2	0	1	-2,7034	0,0683179
	41336-65-6	26,3	-6,019	414,671	6,902	2	0	1	-1,4291	0,1850514