7840 1 2 3 4 5 6 7 8 9 10 11 35 6 6 6 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 3 3 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 2.2106 -0.617 0.4292 -2.0227 -0.5031 -0.4836 0.3574 0.371 -2.764 -2.1815 -2.2035 0.183 0.4983 -0.6017 -0.0797 1.1272 1.1537 -1.2326 -1.2259 0.7256 -0.6825 -0.7128 -0.0105 0.014 0.0102 -0.0136 0.9051 -0.8552 -0.8801 0.906 -0.0092 -0.9136 0.861 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EA000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -2.1337 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9007057967644567817 16714656 1 18273215317550620670 20096714 4 18410856581483995128 21015797 1 9222354434696014411 5460574 1 9295291638067811616 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 88.26 3.18 0.8 0.65 0.36 0.01 0 -0.18 0.02 0.06 0 0.07 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 131.25 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 2 1 -0.23 3 0.23 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 2 1 1 hydrophobe 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1