283 1 2 3 4 8 8 6 1 1 -1 1 2 3 3 3 4 1 2 1 2 5 10 1 2 3 4 -1.1464 1.1464 0 -0.0001 -0.1741 -0.1741 0.3481 1.4906 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000011B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0128 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.276 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 18053098711734589548 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50 1.32 0.61 0.54 0 0.05 0 -0.15 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 81.847 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 34.2 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 -0.9 2 -0.9 3 1.02 4 -0.22 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 3 1 2 3 anion 3 0 0 0 0 0 0 0 1 1