222 1 2 3 4 7 1 1 1 1 1 1 2 3 4 1 1 1 2 5 10 1 2 3 4 0 -0.4417 0.7256 0.4875 0 0.2906 0.6896 -0.8701 0 0.8711 -0.1907 0.2089 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000DE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 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 2012.01.18 260 1 18410856563934756871 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 15.6 0.51 0.51 0.51 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 14.89 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 15.6 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 4 1 -1.08 2 0.36 3 0.36 4 0.36 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 1 1 1 cation 1 0 0 0 0 0 0 0 1 1