11715 1 2 3 4 5 6 7 8 9 10 35 8 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 5 4 3 4 5 6 7 8 9 10 1 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -2.2894 0.4116 0.5487 -0.5978 1.9269 -0.5653 -0.5747 2.046 2.6826 2.0659 0.0434 1.3042 0.0821 -0.9 -0.5297 -1.5342 -1.4974 -1.1388 0.2608 -1.1438 0.0139 -0.0067 -0.0035 -0.0174 0.0136 0.8708 -0.9309 0.9131 0.0197 -0.8795 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002DC300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.3539 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 139733 1 9295283945718158914 16714656 1 18339083687663642414 20096714 4 18338800138433869067 21015797 1 9509162055712698594 21040471 1 18266741461821582919 24536 1 18120078735564191419 29004967 10 18335706030866465786 5460574 1 9223231845006764547 5943 1 11678796684088373040 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.97 2.85 1.08 0.63 0.82 0.19 0 -0.26 -0.02 -0.09 0 0.07 -0.02 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 168.097 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 73.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 4 5 6 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.23 2 -0.57 3 0.45 4 0.29 5 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 hydrophobe 1 2 acceptor 5 0 0 0 0 0 0 0 1 3