1032 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 11 5 4 5 6 7 8 9 10 1 1 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -1.6213 -0.57 0.7276 1.9862 -0.5226 0.7203 0.7165 2.8762 2.0288 2.0227 -2.452 -0.7156 1.3033 -0.7599 0.0899 0.0823 -1.3855 -1.4038 -0.5468 0.7425 0.7256 -0.1939 0.0046 -0.0019 -0.007 0.0054 -0.0012 -0.9056 0.8788 0.0023 -0.873 0.8964 0.0083 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000040800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0806 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.354 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295300434071260483 16714656 1 18342745160358307902 20096714 4 18049726213446375384 21015797 1 9655278346218760395 21040471 1 17978509728523723532 29004967 10 18335709402484410451 5460574 1 9223238446587737346 5943 1 10829148021388883773 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 2.11 1.07 0.58 0.62 0.2 0 -0.17 0.01 -0.23 0 0.05 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 160.194 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.3 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 5 1 -0.65 11 0.5 2 -0.57 3 0.06 5 0.66 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 4 1 1 acceptor 1 2 acceptor 1 4 hydrophobe 3 1 2 5 anion 5 0 0 0 0 0 0 0 1 1