10908 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 8 8 8 3 7 7 4 5 6 9 10 11 12 13 14 15 16 17 8 18 19 20 1 1 2 1 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 17 18 19 20 0.2006 1.3542 -1.0403 -1.1044 -2.1608 -1.1114 1.3216 2.5405 -0.7779 -2.1321 -0.4996 -2.088 -2.0842 -3.1505 -0.493 -2.1371 -0.8037 2.5511 2.5516 3.4357 -0.7755 1.2261 -0.0687 0.8016 -1.1062 0.789 0.0028 -0.8691 0.2413 1.1401 1.7107 -1.7634 -1.7538 -0.638 1.6897 1.1383 0.2146 -1.4913 -1.49 -0.2408 -0.0003 0.0002 0 -1.2543 -0.0081 1.2625 -0.0001 0.0002 -2.1382 -1.4326 -1.2075 0.8661 -0.8892 -0.0077 1.2349 1.4307 2.144 -0.8982 0.8995 -0.0006 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002A9C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 19.0047 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 137420 1 14648907568817023905 14390081 3 7997966860480558198 21040471 1 17389358447324723461 23552423 10 18333734640977912846 24536 1 18131347488381923650 29004967 10 17750517475768637067 369184 2 15267050407349894174 5084963 1 18334857233780874146 5943 1 15003251145487078177 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 152.9 2.98 1.23 1.02 1.34 0 0.01 -0.9 0 -0.13 0 -0.48 0.32 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 285.707 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 96.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 4 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.43 2 -0.57 3 0.28 7 0.66 8 0.06 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 2 acceptor 4 3 4 5 6 hydrophobe 8 0 0 0 0 0 0 0 1 1