6329 1 2 3 4 5 6 7 7 6 1 1 1 1 1 1 1 1 2 2 2 2 6 7 3 4 5 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 -0.7154 0.7154 1.1069 1.0996 1.0996 -1.0625 -1.0625 0 0 0.0916 0.8349 -0.9274 0.8564 -0.7661 0 0 1.0174 -0.593 -0.4345 0.4294 0.5753 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018B900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.5426 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 18050566540819327998 260 1 18410856563982229638 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 36.18 1.07 0.57 0.57 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 48.271 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 29.3 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 4 1 -0.99 2 0.27 6 0.36 7 0.36 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 cation 1 1 donor 2 0 0 0 0 0 0 0 1 1