61744 1 2 3 4 5 6 8 8 7 7 1 1 1 1 2 3 3 3 6 4 4 5 1 1 2 1 1 2 5 10 1 2 3 4 5 6 1.6845 -1.5774 0.4274 -0.5344 0.2803 2.2293 0.158 -0.0954 -0.468 0.4054 -1.1147 -0.1418 0.1758 0.2146 -0.1728 -0.2175 0.6004 -0.5718 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000F13000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.236 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 17846495941537681616 20096714 4 16917064486117977648 21015797 1 9366188147721306615 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 60.62 1.92 0.61 0.54 0.19 0.01 0.01 -0.06 -0.23 0.01 0.02 -0.01 0 0.04 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 100.437 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 40.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.3 2 -0.16 3 -0.28 4 -0.01 5 0.36 6 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 2