	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	41339-61-1	45,25	-3,478	267,327	2,8799	3	2	0	-2,1949	0,3682425
	413579-33-6	49,69	-3,901	357,286	5,168	3	2	1	-5,74	0,2955419
	413597-26-9	77,76	-3,768	357,243	4,004	4	3	0	-2,3543	0,2310905
	413597-27-0	97,99	-3,582	375,258	3,0086	5	4	0	-4,6411	0,3890519
	413597-29-2	66,76	-4,249	357,243	3,8552	4	2	0	-4,7311	0,3439473
	413597-31-6	49,69	-4,203	341,244	4,2422	3	2	0	-4,2838	0,3364712
	413597-33-8	49,69	-4,157	339,228	4,2825	3	2	0	-14,636	0,3326028
	41370-56-3	20,23	-3,175	220,355	3,1216	1	1	0	-1,8259	0,2918285
	41398-72-5	20,23	-6,675	426,726	8,4455	1	1	1	-6,6279	0,1019835
	41410-58-6	72,83	-5,186	444,61	4,4702	5	1	0	-2,2875	0,2684414
	41442-57-3	40,46	-5,577	348,569	8,5437	2	2	1	-20,191	0,1625164
	4144-56-3	54,37	-3,891	270,411	5,0095	3	1	1	-21,717	0,3181627
	41451-81-4	57,53	-3,819	298,381	5,3278	3	2	1	-5,9126	0,1806372
	41453-56-9	20,23	-2,139	142,241	2,9791	1	1	0	-21,066	0,2729518
	41546-29-6	90,15	0,122	150,129	-2,1107	5	4	0	-2,9788	0,5185643
	41546-30-9	90,15	0,122	150,129	-2,1107	5	4	0	-2,9788	0,5185643
	41598-07-6	94,83	-3,583	352,469	3,7928	5	3	0	-14,343	0,3702358
	41608-64-4	61,55	-1,851	181,19	0,8253	4	1	0	-3,6425	0,1893478
	41610-70-2	20,23	-3,118	220,355	3,0544	1	1	0	-6,0388	0,2588478
	41664-11-3	20,23	-3,476	222,37	3,9034	1	1	0	-20,287	0,3914143