115034 1 2 3 4 5 6 7 7 7 1 1 1 1 1 1 2 3 2 4 5 3 6 1 1 1 2 1 2 5 10 1 2 3 4 5 6 1.0884 -0.0458 -1.0426 1.028 1.9716 -1.9146 0.227 -0.4852 0.2583 1.2376 -0.2678 -0.2823 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001C15A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.0565 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 18410856555360802437 21015797 1 18048037655427492839 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 46.8 1.27 0.63 0.51 0.05 0.03 0 -0.18 0 -0.01 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 74.331 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 33.7 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 -0.68 2 -0.06 3 -0.4 4 0.37 5 0.37 6 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 3 0 0 0 0 0 0 0 1 1