263 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 15 3 4 6 7 5 8 9 10 11 12 13 14 1 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 15 -2.4187 -0.0245 1.236 -1.2861 2.4934 -0.0362 -0.0261 1.2331 1.2529 -1.3272 -1.3449 2.5228 2.5432 3.3838 -2.3753 0.3489 0.3421 -0.5181 -0.509 0.3361 0.9861 1.0212 -1.1695 -1.1673 -1.1426 -1.1505 0.9724 0.9795 -0.3002 0.892 -0.0069 0.0194 0.0058 -0.0059 -0.0125 0.9077 -0.8425 -0.8759 0.8889 -0.8975 0.8787 -0.9027 0.8718 -0.0202 -0.8123 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000010700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.8038 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9151174255121236200 14390081 3 18272647969624814152 16714656 1 18341895194656503029 20096714 4 18411136978281424712 29004967 10 15936411126140366600 5460574 1 9295291642199261603 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 3.46 0.78 0.6 0 0.05 0 -0.45 0.02 0.02 0 0.05 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 160.49 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 8 7 5 3 6 4 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 3 1 -0.68 15 0.4 4 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 3 1 1 acceptor 1 1 donor 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1