9255 1 2 3 4 5 6 7 8 8 7 6 6 6 1 1 1 1 1 2 2 3 3 4 5 3 5 4 5 4 6 7 8 1 1 1 2 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.0344 -1.1845 0.8691 -0.4785 -0.2406 1.7683 -0.9729 -0.3534 -0.5851 -0.1478 0.7669 1.0278 -1.0618 1.3643 1.9877 -2.1355 0 0.0001 0.0001 -0.0001 0 0.0001 -0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1526 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 20096714 4 18050572038372399993 21015797 1 9223231844832587297 21040471 1 18266740362420835361 5943 1 8671573283128322993 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.05 1.27 1.2 0.58 0.01 0.02 0 -0.02 0 0.02 0 0.01 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 187.523 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.28 2 -0.57 3 -0.01 4 0.08 5 0.33 6 0.15 7 0.15 8 0.15 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 1 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1