17607 1 2 3 4 5 16 9 9 8 8 1 1 1 1 2 3 4 5 1 1 2 2 2 5 10 1 2 3 4 5 0 -0.0043 0.0047 1.2737 -1.274 0 -1.2677 1.2681 -0.0046 0.0043 -0.1059 0.8444 0.844 -0.7915 -0.791 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000044C700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.866 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 15791731901352417207 21015797 1 9293844684881264742 5943 1 10925784531961118748 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 80.46 1.14 1.07 1.01 0 0 -0.04 0 0.46 0 -0.46 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 135.178 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 1.7 2 -0.2 3 -0.2 4 -0.65 5 -0.65 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 5 0 0 0 0 0 0 0 1 1