6333 1 2 3 4 5 35 17 6 1 1 1 2 3 3 3 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.5597 -1.4758 -0.0839 -0.0956 -0.0955 -0.3212 -0.3793 0.7005 1.3215 1.3215 0 0 0 0.8982 -0.8981 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018BD00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2141 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 18338798909830622790 20096714 4 9367344838301591158 21015797 1 18052817241052878669 5460574 1 18410856542602403654 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 69.55 2.3 0.9 0.67 0.11 0.05 0 -0.51 0 -0.02 0 0.05 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 91.187 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.1 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 -0.23 2 -0.29 3 0.52 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 1 hydrophobe 3 0 0 0 0 0 0 0 1 1