7954 1 2 3 4 5 6 7 8 9 17 17 17 7 7 7 6 6 6 1 2 3 4 4 5 5 6 6 7 8 9 7 8 7 9 8 9 1 1 1 2 1 1 2 2 1 2 5 10 1 2 3 4 5 6 7 8 9 0.9967 -2.952 1.9555 -0.9019 1.3617 -0.4598 0.4301 -1.2736 0.8434 -2.8333 0.5534 2.2796 -1.0516 -0.2552 1.3068 -1.2222 0.2387 0.9836 0.0023 0.003 0.0029 -0.0012 -0.001 -0.0018 -0.0009 -0.0017 -0.0016 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F1200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.8048 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 23.07 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1 1 18410291427901127853 12716758 59 17980489180461757212 16945 1 18338516344027164485 20871998 184 17047122663083256084 21040471 1 18194401331923901796 23552423 10 18412262809611196079 23552449 1 17042323311754707596 241688 4 17618221706667622816 2748010 2 18265059213268011303 29004967 10 18192152603270101379 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 175.88 2.88 2.88 0.6 1.88 1.81 0 -1.81 0 -1.88 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 336.034 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 103.6 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 9 1 -0.18 2 -0.18 3 -0.18 4 -0.62 5 -0.62 6 -0.62 7 0.8 8 0.8 9 0.8 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 4 3 4 5 7 cation 3 4 6 8 cation 3 5 6 9 cation 6 4 5 6 7 8 9 rings 9 0 0 0 0 0 0 0 1 1