12228 1 2 3 4 5 6 7 8 7 6 6 1 1 1 1 2 2 3 3 3 4 3 4 5 6 7 2 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 -1.6299 0.5562 1.6086 -0.535 2.5848 1.5564 1.5564 0.2844 -0.5784 0.4397 -0.1456 -0.0559 1.0725 1.0725 0 0 0 0 0 0.8938 -0.8939 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002FC400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.6447 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 18410856585530971108 20096714 4 18411138073450774840 21015797 1 18047756189077685510 5460574 1 18410856555381758532 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 71.47 2 0.72 0.57 0.05 0.01 0 -0.41 0 0.08 0 0.03 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 124.914 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.1 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 -0.49 2 -0.55 3 0.25 4 0.79 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 1 1 2 acceptor 4 0 0 0 0 0 0 0 1 1