7003 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 17 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 4 3 4 6 5 7 8 9 12 10 13 11 14 9 15 16 11 17 18 1 1 1 2 1 2 2 2 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 13 14 15 16 17 18 -1.9767 -0.0036 0.399 -1.3734 -0.5802 0.9755 1.7687 -2.3325 -1.9367 2.332 2.7278 -0.2938 0.7197 2.1011 -3.3947 -2.6837 3.0796 3.784 -2.3776 -0.4406 0.9162 -0.7506 1.923 -1.4474 1.2262 0.2625 1.5968 -1.1213 0.2129 2.9726 -2.5035 2.2623 0.0298 2.3852 -1.9092 0.4661 0.0001 0.0001 0.0002 0 0.0001 0.0001 0 -0.0002 -0.0002 -0.0001 -0.0001 0.0001 0 0 -0.0003 -0.0003 -0.0003 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001B5B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 32.1989 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.175 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11206711 2 18265054802357684692 12423570 1 12533619412195232747 12524768 44 18340772528876014471 12897270 3 18411136969628160742 13380535 76 18340761525169854055 16945 1 18410575050403684260 193761 8 18266459999935768805 19973954 147 18410857672231517564 20871998 184 18201440306691504567 21040471 1 18266741285822999232 21501502 16 18410293639782807338 2334 1 18194682802578998562 23552423 10 18260832634926176028 23559900 14 18199474273618784462 241688 4 18266176308644904137 2748010 2 18267582596759261020 369184 2 18337952290135383296 5084963 1 17914324684958743521 528886 8 18411414007787577626 66348 1 18411417349224713007 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 228.24 3.58 2.33 0.62 0.83 0.35 0 0.53 0 -1.05 0 -0.01 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 492.154 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 121.3 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 16 1 -0.18 10 -0.15 11 -0.15 12 0.15 13 0.15 14 0.15 15 0.15 16 0.15 17 0.15 18 0.15 4 0.18 5 -0.15 6 -0.15 7 -0.15 8 -0.15 9 -0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 6 2 3 4 5 8 9 rings 6 2 3 6 7 10 11 rings 11 0 0 0 0 0 0 0 1 1