	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	4071-39-0	86,63	-1,106	213,232	-2,0205	5	3	0	-10,97	0,3896968
	4071-63-0	17,07	-2,821	178,274	2,7693	1	0	0	-1,5971	0,5221612
	40718-08-9	44,02	-3,761	276,915	2,5999	2	1	0	-7,8416	0,2471205
	407-64-7	40,54	0,143	146,209	-1,0848	3	1	0	-0,92014	0,5082818
	40772-12-1	46,53	-4,962	386,574	4,3361	3	1	0	-2,0536	0,3132653
	408306-56-9	37,3	-4,138	304,472	4,8067	2	1	0	-3,752	0,3224152
	408-35-5	37,3	-4,239	256,428	6,0625	2	1	1	-25,216	0,0926785
	40856-79-9	78,43	-1,975	206,2	0,3052	5	3	0	4,3841	0,9526137
	4086-70-8	37,3	-3,699	228,374	5,1537	2	1	1	-25,216	0,1153006
	40883-44-1	115,17	-1,837	323,344	-0,3053	7	5	0	-3,5628	0,4752112
	409-02-9	17,07	-2,028	126,198	2,3984	1	0	0	-3,9306	0,2864268
	409327-39-5	494,85	-7,393	1454,76	-0,8932	30	16	3	9,7604	0,2705495
	40957-92-4	287,88	-2,438	684,407	-5,2208	18	10	3	2,5547	0,4084182
	40980-53-8	97,99	0,0060001	174,151	-1,9746	5	4	0	1,1569	0,8684319
	410071-72-6	80,92	-4,352	498,294	3,2956	4	4	0	-7,7701	0,1381463
	410096-43-4	178,03	-4,437	636,688	2,6253	13	1	2	1,1095	0,3990419
	410096-45-6	178,03	-3,753	596,624	1,6795	13	1	2	0,65725	0,4483777
	410096-46-7	128,59	-3,855	500,97	1,6523	9	2	1	0,17163	0,0646844
	410096-47-8	134,66	-4,265	543,007	2,1369	10	1	1	-0,93751	0,0465023
	4104-45-4	51,32	-1,198	105,204	0,2563	1	1	0	-2,1784	0,5401318