521293 1 2 3 4 8 7 6 1 1 -1 2 1 1 2 3 2 3 4 1 3 1 2 5 10 1 2 3 4 -1.3149 0.1008 1.2141 2.2791 0 -0.0001 0 0.0002 0 0.0001 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0007F44D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0301 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 18338516442843158244 21015797 1 18122623031135050404 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50.89 1.63 0.55 0.55 0.23 0 0 0 0 -0.05 0 -0.05 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 80.745 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 35.9 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 4 1 -0.47 2 1.4 3 -0.11 4 0.18 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 1 1 1 anion 3 0 0 0 0 0 0 0 1 1