750 1 2 3 4 5 6 7 8 9 10 8 8 7 6 6 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 10 5 4 8 9 5 6 7 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.6487 -0.4837 1.9006 0.7341 -0.5023 0.7326 0.7464 1.8743 1.8887 -2.4447 0.6571 -1.2934 -0.0812 0.7867 -0.0691 1.4215 1.4088 -0.6844 -0.6969 0.0839 -0.0104 -0.0005 -0.009 0.0079 0.012 -0.8824 0.9069 -0.8301 0.8031 -0.026 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002EE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.2569 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.429 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9221305500492508682 16714656 1 18334301928958962636 20096714 4 18408886234834677880 21015797 1 9580758932782445613 21040471 1 18410573955102640736 5460574 1 9295288339411764896 5943 1 16976965699258066967 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 86.18 1.9 1.06 0.56 0.45 0.2 0 -0.21 0.01 -0.19 0 0.01 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 152.844 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.65 10 0.5 2 -0.57 3 -0.99 4 0.33 5 0.66 8 0.36 9 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 5 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 5 anion 5 0 0 0 0 0 0 0 1 1