8003 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 6 6 6 1 1 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 6 7 4 8 9 5 10 11 12 13 14 15 16 17 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 0 1.2621 -1.2621 2.5198 -2.5199 0 0 1.28 1.2583 -1.2799 -1.2582 2.5484 2.5708 3.4101 -2.5484 -3.4101 -2.5709 0.3478 -0.514 -0.514 0.3401 0.3401 0.9783 1.0201 -1.171 -1.1576 -1.171 -1.1576 0.9847 0.9752 -0.2964 0.9848 -0.2964 0.975 -0.0228 -0.0001 -0.0001 0.0115 0.0115 -0.9202 0.8439 -0.8775 0.8874 -0.8774 0.8873 0.8958 -0.8788 0.0264 0.8958 0.0263 -0.8787 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -5.2609 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9511462220978991821 14390081 3 18272929440206324224 16714656 1 18412826884619234557 20096714 4 18410855485908534568 29004967 10 16153429432622070120 5460574 1 9295290538482337319 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 3.79 0.79 0.62 0 0.03 0 -0.54 0.03 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 168.554 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 5 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 0 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 2 1 4 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1