14942 1 2 3 4 5 6 7 8 9 14 8 8 8 8 1 1 1 1 1 1 1 1 2 3 4 5 2 3 4 5 6 7 8 9 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.0001 -0.1394 -0.6476 -0.822 1.609 -1.0314 -0.2598 -1.7755 2.1099 -0.0001 0.9794 -1.498 0.6862 -0.1675 1.1612 -2.0086 0.844 0.6358 0.0001 -1.3408 -0.3366 1.2768 0.4006 -1.6815 -1.0672 1.1728 0.6208 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00003A5E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2882 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 9651968678748487683 5943 1 10300198922978590722 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.63 1.23 1.23 1.23 0.46 0.38 0.32 0.02 -0.31 -0.34 -0.01 -0.12 -0.4 -0.14 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 161.293 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.1 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 9 1 1.19 2 -0.7 3 -0.7 4 -0.7 5 -0.7 6 0.4 7 0.4 8 0.4 9 0.4 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 0 5 0 0 0 0 0 0 0 1 1