6420096 1 2 3 4 5 6 7 8 8 7 6 1 1 1 1 1 1 1 2 2 2 3 3 3 8 3 6 7 4 5 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.182 -1.198 0.016 0.0357 0.0356 -1.1943 -1.1944 1.947 -0.2737 -0.2629 0.5366 1.1757 1.1757 -0.8761 -0.8761 0.3266 0 0 0 0.8878 -0.8877 0.8139 -0.814 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0061F68000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.6739 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.332 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 18125156297198433125 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50.89 1.39 0.7 0.55 0.03 0.09 0 -0.25 0 -0.01 0 0.01 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 76.907 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 36.6 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 -0.68 2 -0.99 3 0.55 6 0.36 7 0.36 8 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 acceptor 1 1 donor 1 2 cation 1 2 donor 3 0 0 0 0 0 0 0 1 1