10483 1 2 3 4 5 6 7 53 8 6 6 1 1 1 1 2 3 3 3 3 4 4 4 5 6 7 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 -1.8616 0.537 1.1323 0.1922 0.9746 2.1633 0.9785 0.2797 -1.2635 1.0744 -0.0905 1.6821 0.7091 1.678 0.0001 0.0002 0.0001 -0.0004 -0.8944 -0.0032 0.8982 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028F300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6928 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 9293558807768907843 20096714 4 18341051912361952841 21015797 1 8718824288546941424 5943 1 17196801083268284254 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 88.38 2.22 1.23 0.68 1.07 0.13 0 -0.48 0 -0.4 0 0.14 -0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 133.852 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.7 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 4 1 -0.11 2 -0.57 3 0.06 4 0.62 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 4 0 0 0 0 0 0 0 1 1