9256 1 2 3 4 5 6 7 8 16 7 6 6 6 1 1 1 1 1 2 2 3 3 4 5 3 5 4 5 4 6 7 8 1 1 1 2 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -1.3916 1.1894 -0.6744 0.6993 0.1773 -1.2708 1.3952 0.3186 0.4881 0.3447 -1.0697 -0.9465 1.1834 -1.9708 -1.7746 2.2555 0.0004 0.0001 -0.0004 0.0003 -0.0003 -0.0007 0.0005 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.8555 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9292703391927703683 16714656 1 18266753389172636910 20096714 4 18411140255251839761 21015797 1 9293363098804148995 21040471 1 18410575076205182021 5943 1 11957506324440739411 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 101.77 1.5 1.37 0.62 0.28 0 0 -0.02 0 -0.05 0 0.04 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 191.714 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.08 2 -0.57 3 -0.11 4 0.08 5 0.23 6 0.15 7 0.15 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 2 acceptor 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1