6775 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 17 8 8 7 7 6 6 6 6 6 6 6 6 1 2 3 4 5 6 7 7 7 8 8 9 10 11 11 12 9 10 13 14 8 9 13 10 14 11 12 12 1 1 2 2 3 3 2 1 1 1 1 1 1 2 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.1876 3.1875 0.4641 0.464 -3.0179 -3.0177 -0.8104 -0.8105 0.4683 0.4682 1.7374 1.7373 -2.0289 -2.029 -1.613 1.6131 -2.6664 2.6665 -2.0256 2.0258 -0.6718 0.6716 -1.4375 1.4376 -0.6684 0.6684 -1.4193 1.4191 -0.0008 0.0003 -0.0003 0.0004 0.0007 -0.0008 -0.0001 -0.0002 0 0.0004 0.0003 0.0001 0.0004 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001A7700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 25.221 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 25.374 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10967382 1 18050285868959349121 11206711 2 18265901426406238557 12423570 1 12315456471111959675 13140716 1 18410853218450619834 13380535 21 18411428297144096076 13380535 220 18335424560179376292 13380535 76 18196367009775177711 13897977 150 18410853218377071756 16945 1 18410855460444646917 193761 8 18410575084663078917 20510252 161 18127976510386025904 20588541 1 18052820251967501390 21501502 16 18410011039498271878 2334 1 18410855494746363012 23402539 116 18125711542207372566 23463225 33 18408321060415063026 23526114 1 18410857663725953092 23552423 10 18333733511522722846 23559900 14 18198627640975391382 241688 4 18410293579853745098 2748010 2 18411136935358067166 528886 8 18267297634427439578 53812653 8 18192155021299934572 54173680 148 18338237046493767691 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 270.15 4.56 3.04 0.6 0.23 0 0 0 0 -0.38 0 0.05 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 557.991 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 155.1 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 14 1 -0.14 10 0.54 11 0.15 12 0.15 13 0.49 14 0.49 2 -0.14 3 -0.57 4 -0.57 5 -0.56 6 -0.56 7 0.08 8 0.08 9 0.54 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 5 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 6 7 8 9 10 11 12 rings 14 0 0 0 0 0 0 0 1 1