6658 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 6 6 7 7 7 5 7 5 4 5 6 8 9 10 11 12 13 14 15 1 1 2 1 1 2 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 -1.1444 -0.6224 1.1128 1.4058 -0.2953 2.0832 -2.5398 0.9825 0.9821 2.4825 3.1292 1.8768 -3.1031 -2.7981 -2.799 -0.6878 1.554 -0.1101 -1.5793 0.3757 0.8155 -0.3681 -2.0559 -2.0563 -1.7814 0.5249 1.8806 -1.3051 0.1974 0.1975 0.0001 0.0004 0 0.0002 0.0005 -0.0007 -0.0006 0.8904 -0.8896 0 -0.0011 -0.0009 -0.0009 -0.901 0.8995 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001A0200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.438 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 16714656 1 18268153235004887492 18185500 45 18341609386147701839 21040471 1 18122343746728810726 23552333 60 18341897363599267482 23552423 10 18261397680665577094 24536 1 18266442222986756052 29004967 10 18334299811450285043 5460574 1 9295021162592029795 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 132.32 2.96 1.44 0.59 1.18 0.1 0 0.26 0 -0.44 0 -0.03 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 245.586 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 84.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 9 1 -0.43 11 0.15 12 0.15 2 -0.57 3 -0.12 4 0.14 5 0.71 6 -0.3 7 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 2 acceptor 7 0 0 0 0 0 0 0 1 1