107908 1 2 3 4 15 8 8 8 2 -1 3 -1 4 -1 1 1 1 2 3 4 1 1 1 2 5 10 1 2 3 4 0 1.1249 0.2247 -1.3497 0.0001 0.9089 -1.4286 0.5197 -0.6116 0.2039 0.2039 0.2039 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001A58400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.28 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10084203304139760639 20096714 4 18202003226469332689 21015797 1 8718556054959672751 5943 1 15954197659317698900 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 68.56 1.24 1.24 0.72 0.28 0.4 -0.15 -0.4 0.16 -0.28 0.16 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 102.122 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 51.7 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 4 1 0.27 2 -1.09 3 -1.09 4 -1.09 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 3 1 2 acceptor 1 3 acceptor 1 4 acceptor 4 0 0 0 0 0 0 0 1 1