1117 1 2 3 4 5 16 8 8 8 8 2 -1 3 -1 1 1 1 1 2 3 4 5 1 1 2 2 2 5 10 1 2 3 4 5 0 1.2956 0.1032 -0.36 -1.0388 0 -0.6107 0.6512 1.0045 -1.045 0 -0.3493 1.3185 -1.0172 0.048 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000045D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 27.5849 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.556 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 15868810818960228359 5943 1 11298648140623642627 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.27 1.06 1.06 1.06 0.15 0.36 -0.22 -0.27 0.07 0.22 0.16 -0.36 -0.09 0.1 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 144.985 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 1.6 2 -0.9 3 -0.9 4 -0.9 5 -0.9 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 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 5 1 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1