	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	90052-62-3	0	-3,229	277,204	4,2998	0	0	0	-6,2112	0,1080004
	90052-70-3	145,66	-4,826	578,696	4,2108	10	2	1	-10,574	0,0750191
	90052-73-6	145,66	-4,556	564,669	3,7564	10	2	1	-11,805	0,0845809
	90052-74-7	145,66	-4,826	578,696	4,2108	10	2	1	0,0038945	0,3127744
	90077-71-7	432,24	-3,086	1245,36	-2,7438	28	10	3	-17,317	0,140348
	90081-28-0	20,23	-6,258	386,661	6,9216	1	1	1	-1,6216	0,1800806
	9008-22-4	268,68	0,851	504,436	-6,295	16	11	3	-4,7068	0,3744611
	90108-63-7	34,14	-4,709	366,543	6,2251	2	0	1	-3,1305	0,1381021
	90134-60-4	97,99	-3,077	338,442	1,0731	5	4	0	1,525	0,7912289
	90139-20-1	37,3	-4,741	356,548	4,7031	2	1	0	-0,41011	0,2386996
	901-56-4	40,46	-4,44	318,499	3,9065	2	2	0	-0,92027	0,3490588
	901-57-5	40,46	-4,44	318,499	3,9065	2	2	0	-0,92027	0,3490588
	90162-26-8	70,72	-4,86	454,656	4,8097	6	1	0	1,165	0,4271441
	90195-39-4	20,23	-6,785	426,726	8,2355	1	1	1	-12,05	0,0759673
	90195-40-7	20,23	-6,565	426,726	8,2094	1	1	1	-0,093908	0,1919048
	90195-41-8	20,23	-6,565	426,726	8,2094	1	1	1	-2,0195	0,1451978
	90195-43-0	20,23	-6,135	398,672	7,2963	1	1	1	-8,4252	0,1502552
	90195-44-1	20,23	-6,276	412,699	8,0391	1	1	1	-1,8614	0,1572031
	90220-12-5	46,53	-4,21	320,471	5,4729	3	1	1	1,2946	0,4940814
	90220-13-6	46,53	-3,844	308,46	5,2375	3	1	1	2,1013	0,5723005