943 1 2 3 4 8 8 8 7 1 -1 2 -1 4 1 1 2 3 4 4 4 1 1 2 2 5 10 1 2 3 4 1.2279 -0.4515 -0.7764 0 0.1876 -1.1572 0.9696 0 0.0001 0.0001 0.0001 -0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000003AF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.4146 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.52 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9293365293648657186 21015797 1 9218236737769413193 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 59.73 1.07 1.07 0.5 0.33 0.13 0 -0.13 0 -0.33 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 105.309 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 35.6 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 4 1 -0.69 2 -0.69 3 -0.69 4 1.06 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 3 1 1 acceptor 1 2 acceptor 1 3 acceptor 4 0 0 0 0 0 0 0 1 1