31296 1 2 3 4 5 35 35 17 6 1 1 2 3 4 4 4 4 5 1 1 1 1 2 5 10 1 2 3 4 5 1.6144 -1.6144 -0.0002 0.0003 0.0001 -0.8683 -0.8685 1.7002 0.0366 0.0407 0.141 0.1409 0.1534 -0.4352 -1.5278 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00007A4000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0954 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 16.542 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9871749095952237383 16714656 1 18123761854498376854 20096714 4 17479184510234603141 21015797 1 9511459987643522764 5943 1 14504805600333942149 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 96.07 2.13 1.77 0.74 0 0.92 -0.01 -1.18 -0.17 0 -0.16 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 130.495 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.7 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 -0.23 2 -0.23 3 -0.29 4 0.75 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 hydrophobe 1 2 hydrophobe 3 1 2 4 hydrophobe 4 0 0 0 0 0 0 0 1 1