136353 1 2 3 4 5 6 7 8 9 10 11 12 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 3 5 4 6 4 7 8 9 10 6 11 12 1 1 1 1 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -1.4391 1.4393 -0.7 0.6996 -0.6645 0.6648 -0.6575 -1.2551 0.6568 1.2544 -1.2639 1.2644 0.0087 0.0084 -1.1485 -1.149 1.1402 1.1401 -1.152 -2.035 -1.1535 -2.0353 2.0341 2.0339 0.1149 -0.114 -0.3003 0.2999 0.0679 -0.0683 -1.3966 0.0219 1.3962 -0.0233 0.1546 -0.1554 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000214A100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 10.8371 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.225 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18196103152880669046 20096714 4 18339083790684731177 21015797 1 9295290542677090824 21040471 1 18411418375785336641 5943 1 16091832373151705383 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 1.55 1.47 0.62 0.01 0 0 0 0 0.02 0 0.03 0 0.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 218.326 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.6 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 8 1 -0.36 11 0.15 12 0.15 2 -0.36 3 0.28 4 0.28 5 -0.07 6 -0.07 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 2 acceptor 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1