3776 1 2 3 4 5 6 7 8 9 10 11 12 8 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 12 3 4 5 6 7 8 9 10 11 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 -0.0004 0 -1.2599 1.2603 -0.0001 -1.3079 -2.1507 -1.3061 1.3089 2.1508 1.3066 -0.0006 1.3572 0.0177 -0.6878 -0.6871 0.0646 -1.7139 -0.1484 -0.7138 -1.7132 -0.1471 -0.7131 1.3242 -0.1242 0.3601 -0.1179 -0.1179 1.454 0.259 0.2213 -1.2122 0.259 0.2213 -1.2122 -1.0961 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000EC000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1698 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 8790885181088344531 20096714 4 17400358344043462849 21015797 1 9870305445774720250 5943 1 13812955797099969682 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 1.45 1.19 0.64 0 0.38 0.02 -0.54 -0.09 0 -0.08 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 124.806 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.68 12 0.4 2 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 1 1 donor 3 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1