24648 1 2 3 4 5 17 17 16 8 8 1 2 3 3 3 3 4 5 1 1 2 2 2 5 10 1 2 3 4 5 -1.6393 1.6391 0.0001 -0.0001 0.0002 -1.0024 -1.0025 0.2122 0.8977 0.895 0.0008 0.001 -0.0002 1.2735 -1.2751 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000604800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1046 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 139733 1 9295289443160513091 16714656 1 17751915822525452215 29004967 10 17822019747419824682 5943 1 12524182479755581509 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 98.75 1.84 1.3 1.1 0 0.1 0 1.1 0 0 0 0 -0.45 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 148.606 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.19 2 -0.19 3 1.67 4 -0.65 5 -0.65 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 5 0 0 0 0 0 0 0 1 1