12635 1 2 3 4 5 6 7 8 9 10 7 7 7 7 6 6 6 6 6 6 1 2 3 4 5 5 5 6 6 7 8 9 10 6 7 8 9 10 3 3 3 3 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 2.2122 -2.2208 -2.2117 2.2209 -0.0016 0.0014 1.2225 -1.229 -1.2226 1.2288 -2.0265 -2.0177 2.0274 2.0168 -0.6769 0.6769 -1.4199 -1.4147 1.42 1.4145 0 0 0.0001 0.0001 0 -0.0002 -0.0001 0.0002 -0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000315B00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 8.326 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20.3 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 161256 15 18268450068505216711 193761 8 18410575084663078919 23552423 10 18334862761435387254 2748010 2 18410855455833194655 5084963 1 16833201693547077691 68250623 7 18410859858174796322 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 185.87 2.95 2.9 0.58 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 372.615 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 101.8 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 10 1 -0.56 10 0.49 2 -0.56 3 -0.56 4 -0.56 5 0.13 6 0.13 7 0.49 8 0.49 9 0.49 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 10 0 0 0 0 0 0 0 1 1