Docking files Search

Molecule Name	topological PSA	cLogS	MW	cLogP	H-Acceptors	H-Donors	Ro5 violations	DrugScore	Druglikeness
6698	109.49	-6.397	358.352	3.3716	6	3	0	0.129942594	-0.31282
25308	178.16	-5.123	521.509	2.3962	12	3	2	0.081327056	-0.085179
51629	51.37	-3.648	408.932	2.8286	5	2	0	0.742548464	5.2792
51630	51.37	-3.256	388.513	2.5665	5	2	0	0.793738675	5.1869
57364	56.33	-4.005	374.482	3.3322	4	2	0	0.557746572	0.16231
65610	161.9	-3.477	393.375	0.7023	10	5	0	0.137804352	3.8387
65993	66.7	-5.73	448.525	4.9217	6	1	0	0.414325519	5.4066
67464	28.68	-5.954	268.318	4.5263	2	1	0	0.094146261	-0.82797
68663	39.34	-4.145	391.488	3.2583	4	1	0	0.66646576	2.1482
73255	54.56	-3.858	368.475	2.9593	5	1	0	0.715971116	2.091
73419	67.51	-5.384	430.674	3.5925	4	3	0	0.506992621	2.0569
80332	178.71	-1.902	454.435	-0.5681	11	3	1	0.151967975	1.1765
82379	84.83	-6.28	428.467	3.8445	6	1	0	0.372843734	0.55308
93027	149.06	-2.383	402.386	0.3827	10	2	0	0.108662721	-1.4687
93028	149.06	-2.383	402.386	0.3827	10	2	0	0.108662721	-1.4687
100107	91.42	-6.163	426.471	3.5855	6	3	0	0.085824045	-35.88
100585	139.03	-5.16	398.377	1.6745	8	3	0	0.226071776	-0.071831
111920	203.43	-1.333	496.476	-1.5027	13	3	1	0.108526063	-4.482
122962	87.63	-5.227	391.45	2.735	6	2	0	0.317300633	-3.3762
127615	82.19	-5.818	410.472	3.4304	5	3	0	0.093774448	-8.5405
128350	33.2	-4.738	346.472	4.9145	3	0	0	0.553034222	5.1894
132837	71.19	-5.271	472.384	4.1678	5	2	0	0.240409284	-8.9132
146429	77.56	-5.407	406.444	3.2543	6	2	0	0.448438244	3.5742
148756	48.46	-4.328	285.305	2.6439	4	1	0	0.737052258	2.4718
153840	28.68	-5.954	268.318	4.5263	2	1	0	0.125528347	-0.82797