6395 1 2 3 4 5 6 7 8 9 16 8 8 8 6 1 1 1 1 1 1 1 1 2 5 5 5 2 3 4 5 9 6 7 8 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.1511 0.019 0.7217 0.6953 -1.5871 -2.0458 -2.0284 -1.7074 -0.2922 0.0012 -0.0035 -1.2585 1.2747 -0.0138 0.8782 -0.9195 -0.0087 -0.8503 0.0816 -1.5428 0.5118 0.5058 0.4436 0.0129 0.0237 1.5289 -1.9411 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018FB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.5637 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.351 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8890380074343344553 20096714 4 11856181174138843819 21015797 1 13366203323423705307 5943 1 13291602580470823177 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 89.14 1.33 1.11 1.09 0.83 0 -0.5 0 0.14 -0.34 0.33 -0.2 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 146.718 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 62.4 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 6 1 1.38 2 -0.68 3 -0.65 4 -0.65 5 0.11 9 0.5 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 2 acceptor 1 3 acceptor 1 4 acceptor 4 1 2 3 4 anion 5 0 0 0 0 0 0 0 1 1