9942115 1 2 3 4 5 6 8 8 6 6 1 1 1 1 2 2 3 3 5 4 6 4 1 1 1 1 3 2 5 10 1 2 3 4 5 6 1.9282 -1.9283 0.6001 -0.6 2.2671 -2.2684 -0.0009 -0.0009 0.0009 0.001 -0.912 0.2662 0 -0.0002 -0.0003 0.0004 0.0014 -0.8708 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0097B46300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0651 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.297 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8790886284894692745 20096714 4 18340769346426625768 21015797 1 8789441518025834538 5460574 1 8790889583429550080 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 2.32 0.56 0.56 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 122.679 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 44.3 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 6 1 -0.44 2 -0.44 3 0.04 4 0.04 5 0.4 6 0.4 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 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 3