123441 1 2 3 4 5 8 6 6 1 1 1 1 2 3 2 4 3 5 1 1 3 1 2 5 10 1 2 3 4 5 -1.2854 0.0427 1.2427 -1.6259 2.3077 0.0002 -0.0005 0.0002 -0.908 0.0008 -0.0001 0.0003 -0.0001 -0.0652 -0.0006 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E23100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.033 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410575123486687076 21015797 1 18122624130609754916 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.87 1.57 0.58 0.58 0.12 0 0 0 0 -0.05 0 -0.05 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 91.933 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 37.9 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 5 1 -0.44 2 0.04 3 -0.18 4 0.4 5 0.18 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 2 1 1 acceptor 1 1 donor 3 0 0 0 0 0 0 0 1 2