7854 1 2 3 4 5 6 7 8 9 7 6 6 6 1 1 1 1 1 1 2 2 2 2 3 3 3 4 3 4 5 6 7 8 9 3 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 1.7563 -0.7072 -1.7172 0.6681 -0.868 -0.8676 -1.5995 -2.7368 -1.5993 0.2743 -0.6404 0.4944 -0.1283 -1.2709 -1.2704 1.1287 0.0962 1.1292 0.0001 0.0001 0 -0.0003 -0.8812 0.8818 -0.8854 0.0002 0.8851 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EAE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.8496 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222417106911765987 20096714 4 18409730655459221585 21015797 1 8500927463668964019 5460574 1 9295291637951754081 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.34 2.24 0.79 0.6 0.14 0.05 0 -0.48 0 -0.15 0 -0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 129.457 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 51.2 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 3 1 -0.56 2 0.2 4 0.36 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 1 1 acceptor 1 3 hydrophobe 4 0 0 0 0 0 0 0 1 1