102138 1 2 3 4 5 6 7 8 9 8 6 6 1 1 1 1 1 1 4 2 5 2 6 2 7 2 8 2 9 2 1 1 2 2 2 3 3 3 2 9 3 4 5 6 7 8 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -1.1712 -0.0463 1.2175 -0.0958 -0.0952 2.105 1.2426 1.2616 -1.1291 0.2997 -0.5665 0.2668 -1.212 -1.1938 -0.372 0.9307 0.9052 0.8364 0 0 0 0.8819 -0.8946 -0.0177 -0.8704 0.8886 0.8099 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00018EFA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.3096 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856563987595332 21015797 1 18192151726869919494 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.87 1.48 0.75 0.58 0.08 0.07 0 -0.26 0 -0.01 0 0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 84.621 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 41.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.68 2 0.28 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 acceptor 1 1 donor 3 0 0 0 0 0 0 6 1 1