104806 1 2 3 4 8 8 8 7 2 -1 1 1 3 2 4 4 1 1 2 2 5 10 1 2 3 4 -0.5015 -1.7787 1.739 0.5412 -0.4933 0.1558 -0.1278 0.4654 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001996600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0286 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 18410856555529445095 20096714 4 8502363438898120350 21015797 1 18194401327639191724 5460574 1 18410856546770718437 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 59.73 2.16 0.62 0.5 0.11 0 0 0.02 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 93.482 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.1 2 -0.71 3 -0.3 4 0.12 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 1