24555 1 2 3 4 5 16 9 9 9 9 1 1 1 1 2 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 0 0.4879 -0.7257 -1.004 1.2419 0 0.8819 -1.2889 0.8331 -0.4261 0 1.2125 0.546 -0.8855 -0.8731 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005FEB00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 4.7656 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10294441102991415655 21015797 1 8709013002663231494 5943 1 15170488444171321350 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 77.65 1.1 1.1 1.1 0.07 0.23 0.2 -0.25 -0.02 0.33 -0.18 -0.4 0.02 -0.27 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 123.657 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 55.1 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 0.8 2 -0.2 3 -0.2 4 -0.2 5 -0.2 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 0 5 0 0 0 0 0 0 0 1 1