6384 1 2 3 4 5 35 9 9 9 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 -1.8353 0.5818 0.5815 0.582 0.09 0.0001 -1.0841 -0.015 1.099 0 0.0002 0.6431 -1.2604 0.6171 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018F000000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 0.5133 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11526789008248562259 20096714 4 17844519118552585273 21015797 1 9797967377497913667 24536 1 17095520699800657813 5943 1 7806233404158048514 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 87.02 1.69 0.94 0.94 1.22 0.16 -0.17 0 0 -0.2 0.17 -0.2 -0.16 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 144.457 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 62 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 5 1 -0.23 2 -0.34 3 -0.34 4 -0.34 5 1.25 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 1 1 1 hydrophobe 5 0 0 0 0 0 0 0 1 1