24478 1 2 3 4 5 6 7 16 16 8 8 8 1 1 1 1 1 1 3 4 2 3 4 5 6 7 2 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 0.0539 -1.7358 0.7485 0.7491 0.1843 0.8045 0.8051 0.0001 -0.0001 -1.3034 1.3017 0.0017 -1.292 1.2883 0.0694 -0.3618 -0.606 -0.6087 1.5071 -1.5903 -1.5929 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005F9E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.0465 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.339 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 12180433234822636735 21015797 1 12052167446588931867 24536 1 13695859286769699159 5943 1 11345147234712972955 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.99 1.55 1.13 1.1 1.05 0 0.39 0 -0.16 -0.38 -0.38 -0.25 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 147.592 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 1.23 2 -0.71 3 -0.68 4 -0.68 5 -0.65 6 0.5 7 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 5 1 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1