82157 1 2 3 4 5 6 7 8 16 8 8 8 8 8 7 1 1 1 1 1 2 3 6 2 3 4 5 7 8 7 1 1 2 2 1 1 2 2 5 10 1 2 3 4 5 6 7 8 -0.9114 0.573 -1.9353 -1.0558 -1.1145 2.8178 1.6263 -1.7103 0.0802 -0.5504 -1.0238 1.3107 0.0863 -0.2272 0.3242 -1.3356 -0.0406 0.2418 0.5913 0.7162 -1.4777 0.1078 -0.1388 1.4992 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000140ED00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.0131 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.356 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17131833166071089477 20096714 4 18056483854765479200 24536 1 18338508647503831378 29004967 10 18201162147334405794 5460574 1 10663825169837661474 5943 1 17245032329489658621 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 113.58 2.94 0.96 0.94 2.46 0.1 -0.33 -0.44 0.21 -0.44 0.25 -0.46 0.1 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 194.999 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 1.67 3 -0.68 4 -0.65 5 -0.65 6 -0.3 7 0.12 8 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 3 acceptor 1 4 acceptor 1 5 acceptor 4 1 3 4 5 anion 7 0 0 0 0 0 0 0 1 1