10487 1 2 3 4 5 53 53 53 53 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 1.1701 -1.2452 1.233 -1.1579 0 1.3605 1.0276 -1.2872 -1.101 0.0001 -1.0547 1.3136 1.0748 -1.3338 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028F700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 0.0109 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 25.907 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137420 1 15741430146577991496 16714656 1 12012900003742381205 20711978 78 11037713952522746436 23552449 11 11165159762780207343 5943 1 13603752355332882432 68250623 7 11575322894385872148 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 150.64 2.05 2.05 2.05 0 0.01 0.03 0.07 -0.05 -0.34 0.03 0.34 -0.09 -1.46 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 199.266 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 122.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.19 2 -0.19 3 -0.19 4 -0.19 5 0.76 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 5 1 1 hydrophobe 1 2 hydrophobe 1 3 hydrophobe 1 4 hydrophobe 5 1 2 3 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1