23553108 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 3 9 10 4 11 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -1.397 1.4024 -0.7052 0.6999 -1.2638 -0.6727 0.6777 1.2426 -0.9596 -1.541 2.2942 -0.5733 -0.577 0.5671 0.5832 1.4558 0.5317 0.5879 1.4677 -1.411 -0.5668 -0.528 -0.147 0.1425 0.2906 -0.2861 -0.0174 1.3845 -1.3811 0.0614 0.1536 -1.1279 -0.2418 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0167645400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8273 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.304 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288343648541026 21015797 1 9150910337934096705 5943 1 15158637830548660072 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 1.67 0.89 0.62 0 0.04 0 -0.37 0 0.01 0 0 0.04 -0.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 114.949 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 49.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.42 10 0.57 11 0.4 2 -0.68 3 0.28 4 0.28 9 0.57 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 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 4 0 0 0 0 0 0 0 1 1