241 1 2 3 4 5 6 7 8 9 10 11 12 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 2 3 7 4 8 5 9 6 10 6 11 12 2 1 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -1.2131 -1.2028 -0.0103 0.0104 1.2028 1.2131 -2.1577 -2.1393 -0.0184 0.0184 2.1394 2.1577 -0.6884 0.7064 -1.3948 1.3948 -0.7063 0.6884 -1.2244 1.2564 -2.4809 2.4808 -1.2563 1.2245 0 0.0001 0 -0.0001 0 0 0 0.0001 -0.0001 0 0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000F100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 13.148 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18123201108121732318 20096714 4 18339082562313515547 21015797 1 9222644709913001990 21040471 1 18194402190896164549 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 123.48 1.59 1.59 0.62 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 251.998 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.5 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 12 1 -0.15 10 0.15 11 0.15 12 0.15 2 -0.15 3 -0.15 4 -0.15 5 -0.15 6 -0.15 7 0.15 8 0.15 9 0.15 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 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1