24548 1 2 3 4 16 9 9 8 1 1 1 2 3 4 1 1 2 2 5 10 1 2 3 4 0 -1.2123 1.2116 0.0007 -0.0368 0.6853 0.6866 -1.3351 -0.5533 0.1777 0.1777 0.1978 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005FE400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 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 9938810526512632022 20096714 4 18272932678595821496 21015797 1 9006780933553310559 5943 1 17050712185900151535 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 65.75 1.15 1.14 0.68 0 0.37 0.14 -0.42 -0.13 0 -0.12 0 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 102.734 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.7 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 4 1 0.75 2 -0.13 3 -0.13 4 -0.5 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 4 0 0 0 0 0 0 0 1 1