24603 1 2 3 4 5 6 16 9 8 8 8 1 1 1 1 1 3 2 3 4 5 6 1 1 2 2 1 2 5 10 1 2 3 4 5 6 -0.0177 -0.9483 1.5066 -0.2671 -0.2736 1.7423 0.0001 0.0019 -0.0039 1.2671 -1.2652 -0.7745 0.1092 -1.1765 -0.4644 0.7655 0.7663 -1.0326 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000601B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.707 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.352 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11266047427803067728 21015797 1 17115775627570510177 5943 1 12492363218843368601 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 81.87 1.13 1.12 1.02 0.6 0 -0.27 -0.01 -0.16 -0.24 0.4 -0.27 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 136.885 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.2 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 6 1 1.68 2 -0.2 3 -0.68 4 -0.65 5 -0.65 6 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 4 1 3 4 5 anion 5 0 0 0 0 0 0 0 1 1