	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	815577-44-7	46,53	-6,04	424,623	9,297	3	1	1	-3,9083	0,1394362
	815586-45-9	40,46	-5,504	400,644	6,0036	2	2	1	-3,6407	0,1186517
	815586-47-1	40,46	-5,468	400,644	6,3917	2	2	1	-5,9147	0,1103616
	815586-49-3	40,46	-5,664	414,671	6,2219	2	2	1	-4,2867	0,1808536
	815586-50-6	40,46	-5,664	414,671	6,2219	2	2	1	-4,2867	0,1808536
	815587-55-4	89,9	-2,953	348,394	1,6808	6	1	0	-17,833	0,4308688
	815587-56-5	69,67	-3,352	332,395	2,5213	5	0	0	-19,298	0,4157983
	81574-88-1	54,37	-3,659	318,455	3,4509	3	1	0	-5,0886	0,2342928
	81574-89-2	60,44	-4,069	360,492	3,9355	4	0	0	-5,0659	0,2081318
	81575-02-2	34,14	-3,586	298,424	4,5424	2	0	0	0,018085	0,314886
	81575-03-3	54,37	-3,451	316,439	3,7948	3	1	0	0,65348	0,6358039
	81575-05-5	80,67	-3,69	376,491	3,7027	5	1	0	0,57116	0,5933318
	81575-06-6	80,67	-3,69	376,491	3,7027	5	1	0	1,5847	0,6624155
	81575-08-8	89,9	-3,885	420,544	4,3996	6	1	0	2,1284	0,5879249
	81575-09-9	0	-4,601	272,474	6,3933	0	0	1	-1,1878	0,2864697
	81575-10-2	20,23	-4,151	288,473	5,5699	1	1	1	0,39855	0,4455162
	81575-11-3	20,23	-4,318	288,473	5,6366	1	1	1	-3,7707	0,2758263
	81575-12-4	37,3	-3,859	302,456	4,4309	2	1	0	-3,3546	0,3562926
	81575-17-9	40,46	-3,752	304,472	4,7178	2	2	0	0,97139	0,5754427
	81575-23-7	29,46	-3,759	304,472	6,2618	2	1	1	-3,2687	0,1611673