6577 1 2 3 4 5 6 7 17 17 8 6 6 1 1 1 2 3 4 4 4 4 5 5 5 6 7 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 -2.2058 2.056 0.2811 -0.6147 0.4834 -0.5391 -0.5458 -0.0907 -0.5854 1.3779 -0.8701 0.1682 -1.5005 -1.4801 -0.0071 -0.0058 0.0024 0.0088 0.0018 -0.881 0.9132 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019B100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.7836 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223228546456011490 16714656 1 18339364063165687494 20096714 4 18266742565876078345 21015797 1 9581502224138718698 29004967 10 18408326592095732466 5460574 1 9295289438912875651 5943 1 8987602573321477248 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 100.77 2.78 1.12 0.61 0.33 0.26 0 -0.54 0.01 -0.1 0 0.01 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 162.358 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 5 2 3 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.29 2 -0.21 3 -0.57 4 0.35 5 0.72 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 5 0 0 0 0 0 0 0 1 1