66051 1 2 3 4 5 6 8 8 8 6 1 1 1 1 2 3 4 2 4 6 4 5 1 1 1 2 1 2 5 10 1 2 3 4 5 6 -0.5094 -1.7231 1.7046 0.5279 0.2007 -1.9039 0.5527 -0.2477 0.0135 -0.3185 -1.3698 -0.1557 0 0 0 0 0.0011 -0.9512 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001020300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8189 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 18410856564129942182 20096714 4 10159688110149407386 21015797 1 17979071913935789574 5460574 1 18410856546754913670 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 64.71 2.01 0.65 0.53 0.17 0 0 0.12 0 0.03 0 -0.02 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 107.969 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 44.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.15 2 -0.4 3 -0.57 4 0.66 5 0.06 6 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 3 acceptor 4 0 0 0 0 0 0 0 1 1