68176 1 2 3 4 35 35 16 8 1 2 3 3 3 4 1 1 2 2 5 10 1 2 3 4 -1.6446 1.6444 0 0.0002 -0.8557 -0.856 0.2818 1.4299 -0.1619 -0.1619 0.6445 -0.3208 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00010A5000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8430316839728576315 16714656 1 18194407684280532027 20096714 4 17324069816503506057 21015797 1 8789791124100520737 5943 1 11857991403848138513 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 92.18 2.24 1.42 0.82 0 0.29 -0.07 -1.13 0.18 0 0.18 0 0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 124.7 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.9 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 -0.05 2 -0.05 3 0.59 4 -0.5 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 0 4 0 0 0 0 0 0 0 1 1