6351 1 2 3 4 5 6 7 8 9 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 3 4 5 3 6 7 8 9 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.3185 -0.857 0.5386 0.5329 0.5329 -1.4342 -1.4342 0.9012 0.9012 0.8057 -0.1271 -0.6786 1.3483 1.3483 -0.2127 -0.2126 -1.1357 -1.1356 0 0 0 -0.912 0.9121 0.912 -0.9121 -0.9121 0.9121 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018CF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.9922 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 139733 1 17906453581894984133 21015797 1 18411699885074131015 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 61.74 0.99 0.99 0.62 0.16 0.05 0 -0.05 0 -0.16 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 106.192 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.8 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 9 1 -0.2 2 -0.2 3 -0.2 4 0.1 5 0.1 6 0.1 7 0.1 8 0.1 9 0.1 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 3 0 0 0 0 0 0 0 1 1