9322 1 2 3 16 7 6 1 -1 1 2 3 3 1 3 2 5 10 1 2 3 1.5802 -1.3701 -0.2101 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000246A00000001 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 2012.11.26 139733 1 8574711299668381920 20096714 4 18342177812369009312 21015797 1 8645326329949985163 5460574 1 8574716801537305856 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 60.61 2.08 0.62 0.62 0.23 0 0 0 0 0.08 0 0.08 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 90.101 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 44.4 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 3 1 -0.88 2 -0.56 3 0.44 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 1 1 2 acceptor 3 0 0 0 0 0 0 0 1 1