887 1 2 3 4 5 6 8 6 1 1 1 1 1 1 2 2 2 2 6 3 4 5 1 1 1 1 1 2 5 10 1 2 3 4 5 6 0.7079 -0.7079 -1.0732 -1.0731 -1.0632 0.9936 0 0 -0.769 -0.1947 0.9786 -0.8804 0 0 0.6852 -1.0113 0.3312 -0.298 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000037700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.6658 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 21015797 1 18050288360093082877 260 1 18410856563992779143 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 35.29 1.05 0.56 0.56 0.01 0 0 0 0 0.04 0 0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 47.013 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 28.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.68 2 0.28 6 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 acceptor 1 1 donor 2 0 0 0 0 0 0 0 1 1