6341 1 2 3 4 5 6 7 8 9 10 7 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 9 10 3 4 5 6 7 8 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.2133 0.0295 -1.2428 0.0512 0.0511 -1.2991 -1.2991 -2.1202 1.1926 1.1926 -0.2902 0.5602 -0.27 1.2078 1.2078 -0.9094 -0.9093 0.3846 -0.9044 -0.9044 0 0 0 0.8824 -0.8825 -0.8874 0.8875 0 -0.8134 0.8134 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018C500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -5.7146 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 17906453581858242756 20096714 4 9007057971797318214 21015797 1 18197214973626128933 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 56.76 1.54 0.75 0.59 0.05 0.07 0 -0.28 0 0 0 0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 85.189 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.4 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 -0.99 10 0.36 2 0.27 9 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 2 1 1 cation 1 1 donor 3 0 0 0 0 0 0 0 1 1