138918 1 2 3 4 5 6 16 16 6 6 1 1 1 1 2 3 3 4 2 3 4 4 5 6 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 0.8676 0.8782 -0.8766 -0.8691 -1.7018 -1.6871 -1.0076 0.9985 -0.6873 0.6964 -1.3749 1.3927 0.0006 -0.0006 -0.0009 0.0009 -0.0014 0.0015 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00021EA600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 16.2426 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 9294127259438317762 16714656 1 17620204126401833374 20096714 4 18411705382674623832 21015797 1 9150910372325295201 5943 1 14288752171134925043 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 90.02 1.42 1.41 0.66 0.01 0.02 0 -0.26 0 -0.01 0 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 149.436 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 63.7 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 6 1 -0.11 2 -0.11 3 -0.04 4 -0.04 5 0.15 6 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 4 1 2 3 4 rings 4 0 0 0 0 0 0 0 1 1