123257 1 2 3 4 9 9 8 8 1 2 3 3 4 4 1 1 1 2 5 10 1 2 3 4 1.3773 -1.3771 0.6674 -0.6677 0.5723 0.5725 -0.5724 -0.5724 -0.1365 0.1365 0.2816 -0.2816 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E17900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.5534 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 20096714 4 18410858754405195984 21015797 1 9295025590434423047 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 56.03 1.61 0.8 0.53 0 0.01 0 -0.4 0 0 0 0 0.02 -0.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 85.352 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 40.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.07 2 -0.07 3 0.07 4 0.07 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