44223991 1 2 3 4 5 6 7 8 9 8 8 6 6 1 1 1 1 1 4 -1 1 1 2 2 3 3 3 4 3 8 4 9 4 5 6 7 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -1.3686 1.4255 -0.7461 0.6892 -0.8605 -1.2488 1.2987 -2.3042 2.3693 -0.6298 -0.5527 0.6194 0.563 0.8632 1.3861 1.424 -0.5397 -0.4067 -0.085 0.0996 0.173 -0.1876 1.2332 -0.4236 -0.4157 0.1642 -0.0823 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 02A2CDF700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.9419 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.305 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295290542677064839 21015797 1 9294746254356746029 5943 1 11899009806156583717 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 1.68 0.91 0.59 0.06 0.04 0 -0.37 0.01 -0.05 0 0 0.04 -0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 116.153 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 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 1 donor 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 1