6380 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 7 6 6 6 6 1 1 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 4 5 6 7 8 9 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 -0.9383 0.6742 -0.795 1.0591 -0.3508 -1.6916 -1.4132 1.3437 -0.1007 1.2401 -0.1059 -1.2719 -1.5503 1.7234 1.6198 0.5575 0 -1.1454 0.5109 1.1278 -0.4933 -1.9457 -0.7732 -1.4995 1.3324 0.8608 -0.3116 1.9411 0.7432 1.4694 0.3416 -1.3023 -0.8562 0 0.3522 1.2651 -0.642 -0.9752 0.8119 1.0529 -0.5675 0.9934 1.9535 1.7125 -0.8881 -1.5484 0.0721 -1.2169 -0.4977 -1.8772 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018EC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 14.9341 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 139733 1 8010453928211256053 21015797 1 14405194953578812917 5943 1 10482623917959675906 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.92 1.25 1.25 1.25 0.13 0.31 -0.18 -0.29 -0.04 0.31 0.23 -0.44 -0.03 0.29 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 161.45 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 70.8 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 5 1 -1.01 2 0.5 3 0.5 4 0.5 5 0.5 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 1 1 1 cation 5 0 0 0 0 0 0 0 1 1