104812 1 2 3 4 5 14 8 8 8 8 2 -1 3 -1 4 -1 5 -1 1 1 1 1 2 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 0 1.4996 -1.1417 -0.4545 0.0967 0 -0.1216 0.5327 -1.5064 1.0954 0 -0.75 -1.1128 0.5915 1.2713 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001996C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.4048 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 14591220673041930604 5943 1 14241820758480257027 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.63 1.24 1.24 1.24 0.37 0.27 -0.08 0.09 0.36 -0.26 -0.28 -0.12 -0.35 0.24 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 159.897 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.6 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 5 1 0.2 2 -1.05 3 -1.05 4 -1.05 5 -1.05 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 0 5 0 0 0 0 0 0 0 1 1