11966278 1 2 3 4 5 6 7 7 7 7 7 7 1 1 2 3 4 5 2 3 4 5 6 6 2 1 1 2 2 1 2 5 10 1 2 3 4 5 6 0.861 1.2318 -0.3708 0.3707 -1.2317 -0.861 -0.9251 0.283 -1.2081 1.2082 -0.283 0.9251 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00B6974600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 12.1713 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 20096714 4 9079114474934476575 21015797 1 18410856563934756864 21040471 1 9295291642294382531 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 93.59 1.31 1.31 0.51 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 192.456 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 51.5 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 0 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 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1