166718 1 2 3 4 5 16 16 16 1 1 1 1 2 3 2 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 0.0001 1.6248 -1.6249 1.6919 -1.692 0.8332 -0.4166 -0.4166 -0.6819 -0.6819 0 0 0 1.3127 1.3127 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00028B3E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -17.3111 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 18410856563934880295 20096714 4 9151174250842171134 21015797 1 18124875913164579629 5460574 1 18410856546781332902 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 73.29 2.45 1.04 0.69 0 0.14 0 -0.73 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 91.383 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 62.9 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 4 2 -0.18 3 -0.18 4 0.18 5 0.18 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 3 0 0 0 0 0 0 0 1 1