7303 1 2 3 4 5 6 7 8 9 10 8 8 8 6 6 6 1 1 1 1 1 1 2 2 3 4 4 4 5 5 4 6 5 6 6 5 7 8 9 10 1 1 1 1 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.0181 -0.0183 1.9822 -1.3529 -1.3532 0.7603 -2.0651 -1.5483 -2.0651 -1.5495 1.1195 -1.1196 -0.0001 0.7276 -0.7274 -0.0001 1.3016 0.9066 -1.3012 -0.9063 -0.1121 0.1115 0.0004 0.1723 -0.1718 -0.0003 -0.4263 1.2348 0.4274 -1.2342 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001C8700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.6969 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9078852782592949055 16714656 1 18410583868034736180 20096714 4 18339364037269224664 21015797 1 9366470735157843915 21040471 1 18195246620221497097 29004967 10 15574715789672964992 5943 1 12459379124309344357 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 105.87 1.92 1.12 0.58 0.53 0 0 0 0 -0.27 0 -0.05 0 -0.06 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 211.5 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 63.6 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 6 1 -0.43 2 -0.43 3 -0.57 4 0.28 5 0.28 6 0.87 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 5 1 2 4 5 6 rings 6 0 0 0 0 0 0 0 1 1