10352 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 6 6 7 3 4 6 8 3 5 7 9 10 11 5 12 13 14 15 7 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 4 6 8 3 1 2 3 5 7 9 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 0.0288 0.0285 0.0373 -1.2558 -1.2559 1.2087 1.2084 0.0979 0.0974 0.935 -0.8518 -1.2515 -2.1444 -2.1448 -1.2518 1.8884 1.888 -1.1167 1.1167 0 -0.7771 0.7769 -0.6706 0.6708 -2.1309 2.1309 0 -0.0001 -1.183 -1.1519 1.1515 1.1828 -1.3117 1.3121 -0.3119 -0.3119 -1.3602 0.4726 0.4726 0.5194 0.5194 -0.7059 -0.706 -1.9916 -2.001 1.4898 -0.0474 -0.0475 1.4898 1.0574 1.0574 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000287000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 28.9789 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12423570 1 9357031423422362230 137420 1 11301173705974116164 21040471 1 18194135022671801297 29004967 10 15430038781098780456 5943 1 13061961609856027653 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 144.06 1.48 1.27 1.05 0.06 0 -0.3 0 0.43 0.05 0.04 -0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 310.777 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 81 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 0.14 16 0.15 17 0.15 2 0.14 6 -0.29 7 -0.29 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 7 1 2 3 4 5 6 7 rings 7 2 0 2 0 0 0 0 1 1