1061 1 2 3 4 5 15 8 8 8 8 2 -1 3 -1 4 -1 1 1 1 1 2 3 4 5 1 1 1 2 2 5 10 1 2 3 4 5 0 1.5234 -0.6406 -0.5679 -0.3149 -0.0001 -0.0688 0.718 -1.4248 0.7757 0 -0.1977 -1.1991 0.1073 1.2895 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000042500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 30.5421 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.483 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 15016649995762003705 21015797 1 14372208930430386176 5943 1 13003820903836942341 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.27 1.11 1.11 1.11 0.49 0.22 0 0.21 0.09 -0.29 -0.09 -0.2 -0.44 0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 138.608 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 1.3 2 -1.08 3 -1.08 4 -1.08 5 -1.08 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 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