11646 1 2 3 4 5 6 7 6 6 1 1 1 1 1 3 -1 1 1 2 2 2 2 3 4 5 6 1 3 1 1 1 2 5 10 1 2 3 4 5 6 0.0827 -1.3398 1.2571 -1.7117 -1.7116 -1.7114 0.0001 -0.0001 -0.0001 0.4618 0.5644 -1.0267 0 0 0 0.9186 -0.8595 -0.0592 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002D7E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.6157 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 139733 1 9151170952259802023 21015797 1 9149729488252403970 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 56.76 1.81 0.59 0.59 0.13 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 89.069 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 41 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 3 1 0.1 2 0.27 3 -0.37 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 3 0 0 0 0 0 0 0 1 1