79079 1 2 3 4 5 6 7 7 7 7 6 1 1 1 2 1 3 -1 1 1 2 4 4 4 2 4 3 5 6 7 2 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 -0.5823 0.581 1.6489 -1.6476 -1.5905 -2.6186 -1.5906 0.5724 0.1287 -0.272 -0.4291 -1.0613 0.0745 -1.0611 0 0.0001 0 0 -0.8922 -0.0001 0.8923 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000134E700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.3608 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 9223237346828118275 21015797 1 10086763005774147601 5460574 1 9223236247232087971 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 67.38 2.15 0.69 0.54 0.07 0 0 -0.43 0 -0.1 0 -0.05 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 112.703 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 46.1 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 4 1 -0.56 2 0.69 3 -0.37 4 0.25 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 0 0 0 0 1 1