8001 1 2 3 4 5 6 7 8 9 10 11 35 35 6 6 6 1 1 1 1 1 1 1 2 3 3 3 3 4 4 5 5 4 5 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 -2.8332 2.8332 0 -1.2499 1.2498 0 0.0001 -1.3003 -1.3289 1.3002 1.3289 0.5071 0.5071 0.2369 -0.6256 -0.6255 0.8604 0.9296 -1.2359 -1.2698 -1.236 -1.2696 -0.0124 -0.0125 0.0326 -0.004 -0.0038 0.9361 -0.8191 -0.9099 0.8759 -0.9097 0.8762 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.5682 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 12932741 1 15769483335098923050 14390081 3 18343017804623899001 16714656 1 18341894091024026693 20096714 4 18410292531649576969 29004967 10 14923944530978902344 5460574 1 9223230749811066659 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 114.78 4.94 0.94 0.67 0 0 0 1.33 -0.04 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 169.708 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 86.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 5 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.23 2 -0.23 4 0.23 5 0.23 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 2 1 1 hydrophobe 1 2 hydrophobe 5 0 0 0 0 0 0 0 1 1