451313 1 2 3 4 5 53 9 6 1 1 2 18 1 2 3 3 3 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.5898 -1.2411 -0.3486 -0.5448 -0.5448 0.1923 0.4176 -0.6099 -1.2187 -1.2187 0 0 0 -0.8867 0.8867 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0006E2F100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0147 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856555529445094 21015797 1 18263926712112531142 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 66.4 2.11 0.85 0.69 0.32 0.03 0 -0.25 0 0 0 0.18 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 88.886 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.3 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 3 1 -0.19 2 -0.34 3 0.53 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 1 1 1 hydrophobe 3 0 0 0 0 0 0 1 1 1