83516 1 2 3 4 5 15 9 9 9 8 1 1 1 1 2 3 4 5 1 1 1 2 2 5 10 1 2 3 4 5 0 1.4056 -0.2776 -1.1276 -0.0004 0.0001 0.4908 -1.4623 0.9718 -0.0004 0.0072 -0.5059 -0.5067 -0.5063 1.5116 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001463C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7981 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 8902479924823695332 21015797 1 10819961567194388882 5943 1 16756399655020920865 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 79.06 1.1 1.1 1.09 0.23 0.35 -0.55 -0.35 0.29 -0.22 0.29 -0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 128.27 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.4 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 1.69 2 -0.33 3 -0.33 4 -0.33 5 -0.7 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 1 1 5 acceptor 5 0 0 0 0 0 0 0 1 1