11166 1 2 3 4 5 6 7 8 9 53 6 6 6 1 1 1 1 1 1 2 2 2 3 3 4 4 2 3 5 6 4 7 8 9 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 -2.1722 -0.4083 0.7403 1.8402 -0.5443 -0.2143 0.6889 2.647 1.9554 0.4252 -0.7645 0.0118 0.3275 -1.6791 -1.0704 0.3066 0.8785 0.0459 -0.0464 -0.1299 0.435 -0.2586 0.4573 -1.1639 1.4806 0.2122 -1.2995 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002B9E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.3959 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 18410571777775657315 16714656 1 18341615931846503581 20096714 4 18334856138464025853 5460574 1 9079117760816521097 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 94.25 3.14 0.9 0.75 0.6 0.04 0.01 -0.74 -0.19 0.15 -0.03 0.07 -0.02 -0.04 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 140.596 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.19 2 0.33 3 -0.29 4 -0.3 7 0.15 8 0.15 9 0.15 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 4 hydrophobe 4 0 0 0 0 0 0 0 1 1