11205 1 2 3 4 5 35 35 35 35 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 0.0838 -1.3743 -0.465 1.7552 0.0003 -1.9699 0.6519 0.5642 0.754 -0.0002 0.0805 1.2569 -1.8326 0.4948 0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002BC500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.3031 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 26.2 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 5943 1 12291709523659331941 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 126.67 1.8 1.8 1.8 1.01 1.3 0.78 -0.49 -0.72 -0.47 -0.06 -0.54 -0.81 -0.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 171.387 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 101.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.23 2 -0.23 3 -0.23 4 -0.23 5 0.92 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 1 hydrophobe 1 2 hydrophobe 1 3 hydrophobe 1 4 hydrophobe 5 1 2 3 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1