638186 1 2 3 4 5 6 17 17 6 6 1 1 1 2 3 3 4 3 4 4 5 6 1 1 2 1 1 3 1 5 4 6 2 2 1 2 5 10 1 2 3 4 5 6 2.1437 -2.1439 0.5135 -0.5132 0.4242 -0.4237 0.1015 -0.1011 -0.4232 0.4227 -1.5014 1.5009 -0.0002 -0.0002 0.0002 0.0002 0.0001 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0009BCEA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1508 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 9223230745521387105 16714656 1 18130788970755624199 20096714 4 18341331171262080880 21015797 1 9222071860059963418 5460574 1 9223234048145489921 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 86.06 3.16 0.73 0.64 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 132.05 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 62.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.14 2 -0.14 3 -0.01 4 -0.01 5 0.15 6 0.15 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 0 4 0 0 0 1 1 0 0 1 1