8021 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 2 3 10 4 6 7 5 8 9 11 12 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 -0.0004 1.2002 -1.1999 2.4556 -2.4555 1.2202 1.2132 -1.2131 -1.2199 -0.0004 2.4895 2.5058 3.3469 -2.5059 -2.4899 -3.3465 -0.3186 0.5076 0.5073 -0.3483 -0.348 1.1597 1.147 1.1462 1.1602 -0.9224 -0.9963 -0.9813 0.2872 -0.9804 -0.9967 0.2878 -0.0065 -0.0001 0.0004 0.0033 0.003 -0.8814 0.8903 0.8912 -0.8804 -0.8282 0.8856 -0.8891 0.0166 -0.8898 0.8849 0.0167 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F5500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -8.1099 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 9295289438865337920 16714656 1 18407760339343959551 20096714 4 18410575123470973256 29004967 10 16271931514545657006 5460574 1 9223232944460240128 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.92 3.74 0.77 0.6 0 0.04 0 -0.62 0.01 0 0 0 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 159.604 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 69.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 4 3 5 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.9 10 0.36 2 0.27 3 0.27 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 cation 1 1 donor 5 0 0 0 0 0 0 0 1 1