2723789 1 2 3 4 5 6 7 8 9 10 16 7 7 7 6 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 3 5 6 7 8 5 9 10 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.9629 0.6947 1.9597 -0.2577 -0.4337 0.6258 2.4466 2.4464 -1.0483 0.6685 -0.6129 -0.7168 -0.1583 1.4227 0.0653 -1.7295 -0.5303 -0.5317 2.0583 1.8367 -0.0001 0.0004 -0.0002 0.0001 -0.0002 0.0005 0.8141 -0.814 0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00298FCD00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.2907 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 21.845 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223235147862949955 16714656 1 18343025488346713414 20096714 4 17980484786609648741 21015797 1 9726759800543058067 29004967 10 18408889572161410635 5460574 1 9295296040425335139 5943 1 11573381633819527241 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.8 2.36 1.11 0.58 0.01 0.41 0 -0.68 0 -0.04 0 -0.09 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 153.023 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 64 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 4 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.38 10 0.37 2 -0.42 3 -0.73 4 -0.8 5 0.5 6 0.37 7 0.36 8 0.36 9 0.37 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 2 donor 1 3 donor 1 4 donor 5 0 0 0 0 0 0 0 1 3