24614 1 2 3 4 35 35 35 15 1 2 3 4 4 4 1 1 1 2 5 10 1 2 3 4 1.6458 -1.6511 0.0053 0 0.9563 0.9471 -1.9034 0 0.2669 0.267 0.2669 -0.8008 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000602600000001 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 10587047423726243326 20096714 4 18131631153671006260 23552449 11 17903352607196802129 5943 1 7803023268281057636 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 103.99 2.11 2.11 0.93 0.34 1.28 0.09 -1.28 -0.36 -0.34 -0.36 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 130.211 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 88.6 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 -0.1 2 -0.1 3 -0.1 4 0.29 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