139987 1 2 3 4 9 7 1 1 1 2 2 2 3 4 1 1 1 2 5 10 1 2 3 4 -0.6867 0.6867 1.0419 1.0419 0 0 -0.6395 -0.3437 0 0 -0.7094 0.8911 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000222D300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 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 2012.11.26 260 1 8574713502812531456 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 28.9 0.96 0.49 0.49 0 0 0 0 0 0.02 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 38.017 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 23.7 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 4 1 -0.06 2 -0.66 3 0.36 4 0.36 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 2 0 0 0 0 0 0 0 1 1