760 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 2 3 4 5 4 7 4 5 5 6 1 1 2 2 1 1 2 5 10 1 2 3 4 5 6 7 -0.3847 -1.6058 1.7808 -0.5636 0.7733 0.7519 -1.2346 1.3162 -0.6319 0.0058 -0.0111 -0.679 -1.7797 1.806 -0.0003 -0.0022 -0.0018 0.0028 0.0015 0.0034 -0.004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002F800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.1355 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.365 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223238446297619491 20096714 4 17905329520255210752 21015797 1 9654991377973609907 29004967 10 18335709389641706587 5943 1 10579182814536770489 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 85.29 1.79 1.03 0.55 0.32 0.27 0 -0.27 0 -0.18 0 0.01 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 157.174 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 -0.65 2 -0.57 3 -0.57 4 0.72 5 0.51 6 0.06 7 0.5 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 4 1 1 acceptor 1 2 acceptor 1 3 acceptor 3 1 2 4 anion 5 0 0 0 0 0 0 0 1 1