264 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 14 6 4 5 7 8 6 9 10 11 12 13 1 1 2 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 2.101 1.2626 -1.3963 -0.2741 -2.7795 1.0864 -1.3026 -1.3052 -0.3524 -0.3466 -2.9224 -2.9227 -3.5528 2.9786 -0.8632 1.2475 0.4139 -0.6148 -0.2191 0.0358 1.0038 1.1203 -1.1927 -1.2984 -0.7828 -0.9021 0.5536 -0.425 -0.0201 0.0156 -0.036 0.0331 0.0069 0.0005 -0.9561 0.7983 0.9603 -0.8199 0.9343 -0.8364 -0.045 -0.0289 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000010800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0944 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.355 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9150876287628364454 20096714 4 18411419556874878345 21040471 1 18266178520447546688 29004967 10 18340206297694173034 5460574 1 9295287244284690759 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 3.36 1 0.58 1.45 0.14 0 -0.34 0.01 -0.39 0 0.06 -0.01 0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 198.098 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 73.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 8 3 7 4 5 6 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.65 14 0.5 2 -0.57 4 0.06 6 0.66 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 acceptor 1 2 acceptor 1 5 hydrophobe 3 1 2 6 anion 6 0 0 0 0 0 0 0 1 1