9864 1 2 3 4 5 7 7 6 1 1 1 1 1 2 3 4 5 3 1 1 1 3 2 5 10 1 2 3 4 5 1.2806 -1.2203 -0.0603 1.8253 1.8254 0 0 0 0.3659 -0.6399 0 0 0 -0.7914 0.5921 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000268800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0163 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 22.266 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856551055214181 21015797 1 18122344854571903783 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 51.78 1.5 0.55 0.55 0.09 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 84.895 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 33.9 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 5 1 -0.97 2 -0.56 3 0.68 4 0.42 5 0.42 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 4 1 1 cation 1 1 donor 1 2 acceptor 3 1 2 3 cation 3 0 0 0 0 0 0 0 1 1