61526 1 2 3 4 5 8 8 8 7 7 1 -1 4 1 1 2 3 4 4 4 5 5 1 2 2 1 2 5 10 1 2 3 4 5 -0.4943 -1.5165 1.7538 -0.5151 0.7722 -1.2683 0.6898 -0.0706 -0.0324 0.6815 0 0.0003 0.0003 -0.0004 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000F05600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.553 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.226 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9293364198315991139 20096714 4 18409167696931761400 21015797 1 9652815427303445045 5943 1 11555209627169006759 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 75.33 1.78 1.01 0.5 0.41 0.27 0 -0.27 0 -0.23 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 132.665 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.52 2 -0.52 3 -0.16 4 1.21 5 -0.01 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 acceptor 1 2 acceptor 5 0 0 0 0 0 0 0 1 1