8007 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 15 16 3 4 6 7 5 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 -2.4641 -0.0131 1.2458 -1.2762 2.5076 -0.0143 0.0002 1.2461 1.2535 -1.2922 -1.2958 3.395 2.5464 2.5544 -3.2961 -2.4711 -0.3382 -0.3523 0.5157 0.5071 -0.3323 -0.9999 -1.0089 1.1782 1.1536 1.1408 1.1645 0.3084 -0.9574 -0.9861 0.247 -0.9353 -0.0033 -0.0048 -0.0114 0.0114 0.0082 -0.8908 0.8744 0.862 -0.9029 0.9049 -0.8644 0.0019 0.9059 -0.8685 0.0602 0.8227 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -6.4888 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295287239879012128 16714656 1 18409449189072328719 20096714 4 18410012169264756680 29004967 10 15267347331276372374 5460574 1 9223232944528805408 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.92 3.54 0.78 0.6 0.06 0.04 0 -0.46 -0.01 -0.02 0 -0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 161.063 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 8 7 6 4 2 3 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.99 15 0.36 16 0.36 4 0.27 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 cation 1 1 donor 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1