7843 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 5 6 4 7 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -0.563 0.563 -1.9293 1.9294 -0.4724 -0.4825 0.4825 0.4723 -2.0542 -2.0651 -2.7203 2.0542 2.7202 2.0652 0.516 -0.5159 -0.1506 0.1505 1.1666 1.1551 -1.1551 -1.1665 -0.771 -0.7856 0.606 0.7709 -0.6062 0.7854 0.0071 0.0071 -0.0071 -0.0071 -0.8706 0.894 0.894 -0.8706 -0.9003 0.8742 -0.0058 -0.9003 -0.0059 0.8743 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EA300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -5.0725 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9151174250963444929 16714656 1 18273218616069692790 20096714 4 18412826910499937960 21015797 1 9294413132392824864 5460574 1 9295291637888450562 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 2.64 0.76 0.62 0 0 0 0 -0.01 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 130.674 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 0 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 2 1 3 hydrophobe 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1