11182 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 5 3 5 3 4 6 7 8 9 10 11 12 13 14 15 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 1.2025 -1.1907 0.052 -2.4647 2.401 -1.1751 -1.1753 0.058 0.0659 -2.5181 -3.3413 -2.5185 2.4598 3.249 2.4571 -0.4674 -0.5105 0.3664 0.3151 0.2965 -1.1792 -1.1623 1.0031 1.0062 0.9447 -0.3401 0.9631 0.9317 -0.3935 0.9085 -0.0072 0.0066 -0.0017 -0.0023 0.0045 -0.8625 0.8884 -0.8942 0.8885 -0.8962 0.0042 0.8784 -0.8846 -0.003 0.91 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002BAE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.592 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 9295290538387411265 14390081 3 18273492398765543392 16714656 1 18410856555534797925 20096714 4 18410575119038732489 29004967 10 15936412225541263568 5460574 1 9223232944476064385 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 3.62 0.75 0.6 0.27 0 0 -0.44 0 -0.06 0 -0.02 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 159.832 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 5 6 4 3 7 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 3 1 -0.56 3 0.28 5 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 1 4 hydrophobe 5 0 0 0 0 0 0 0 1 1