6571 1 2 3 4 5 6 7 8 9 10 17 8 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 5 4 3 4 5 6 7 8 9 10 1 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 2.1769 -0.4178 -0.5263 0.6533 -1.8862 0.621 0.6247 -2 -2.6637 -1.996 0.0383 1.3083 0.0829 -0.8621 -0.5673 -1.4916 -1.4799 -1.186 0.2017 -1.1786 -0.0045 0.0017 0.0017 0.0053 -0.0042 -0.8873 0.9062 0.8894 -0.0026 -0.9034 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019AB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.2597 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 139733 1 9223237346817627235 16714656 1 18343023315214574398 20096714 4 17977950090127055616 21015797 1 9582931580733497163 21040471 1 17834113048270214784 24536 1 18124582098936718622 29004967 10 18336271227193310443 5460574 1 9295296040309232130 5943 1 14217981516976748093 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 98.9 2.59 1.08 0.61 0.63 0.21 0 -0.32 -0.01 -0.11 0 0.03 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 165.105 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 6 4 5 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.29 2 -0.57 3 0.45 4 0.35 5 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 2 acceptor 5 0 0 0 0 0 0 0 1 3