8078 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6 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 6 6 2 3 7 8 4 9 10 5 11 12 6 13 14 6 15 16 17 18 1 1 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 18 -0.0435 1.2404 -1.2838 1.2838 -1.2404 0.0435 -0.046 -0.0739 1.3129 2.1083 -2.1821 -1.3588 2.1821 1.359 -1.3129 -2.1083 0.0459 0.0738 -1.4573 -0.7663 -0.691 0.6911 0.7662 1.4573 -1.5425 -2.4771 -0.8111 -1.3026 -1.1746 -0.7314 1.1746 0.7315 0.811 1.3025 1.5425 2.4771 -0.2258 0.2258 0.2258 -0.2257 -0.2258 0.2258 -1.3194 0.1741 1.3194 -0.1742 -0.1741 1.3195 0.1742 -1.3194 -1.3195 0.1741 1.3195 -0.1742 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F8E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -3.5609 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 16714656 1 18049457116586536972 20096714 4 17907303508551530834 21040471 1 18338796835377353517 29004967 10 17753336657820641491 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 123.48 1.68 1.68 0.67 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 230.793 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 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 1.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1