61330 1 2 3 4 5 17 17 14 1 1 1 2 3 3 3 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 -1.6317 1.6316 0.0001 0.0001 0 -0.4101 -0.4102 0.8203 1.6366 1.6365 0 0 0 1.2405 -1.2405 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000EF9200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.3869 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 17690280829751227237 16714656 1 9078815420667172984 20096714 4 9079118855816877796 21015797 1 18340209682007147829 5460574 1 18410856546770711940 5943 1 9147244355713953880 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.69 2.21 1.16 0.79 0 0.3 0 -0.73 0 0 0 0 0.09 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 110.278 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.5 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 5 1 -0.37 2 -0.37 3 1.14 4 -0.2 5 -0.2 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 0 3 0 0 0 0 0 0 0 1 1