10484 1 2 3 4 5 6 7 8 16 8 6 6 1 1 1 1 1 1 2 3 3 3 3 4 8 4 4 5 6 7 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.6127 -0.5022 -1.0086 -0.1019 -0.8397 -0.8421 -2.0497 2.0627 -0.2809 1.2634 -1.0891 0.1067 -1.6927 -1.6902 -0.7525 0.9822 0.0001 0.0001 0.0001 -0.0003 -0.896 0.8983 -0.0019 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028F400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.12 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222690889491273218 20096714 4 17905609904447319808 21015797 1 9727632808390893610 5943 1 14966164330092045795 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 80.3 1.71 1.23 0.62 0.66 0.21 0 -0.49 0 -0.35 0 0.05 -0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 129.018 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.7 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 5 1 -0.32 2 -0.57 3 0.06 4 0.65 8 0.18 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 1 3 1 2 4 anion 4 0 0 0 0 0 0 0 1 2