159940 1 2 3 4 5 6 7 16 16 8 8 8 8 8 3 -1 6 -1 1 1 1 1 2 2 2 3 4 5 6 7 1 1 2 2 1 2 2 5 10 1 2 3 4 5 6 7 0.8884 -1.1349 1.3582 1.3178 0.8495 -1.6394 -1.6396 0 0 -1.1818 1.284 -0.1022 -1.2615 1.2614 0.0315 -0.4472 -0.682 -0.5099 1.4858 0.0606 0.0611 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000270C400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.6773 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.364 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17832151523831519614 20096714 4 18261395503217391373 21040471 1 18195520398764486949 24536 1 18339627997532748237 29004967 10 18340215072470607718 5943 1 11019377710881538218 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 122.41 2.15 1.32 0.96 0.51 0.06 -0.29 0 0.12 0.14 0.17 -0.32 -0.05 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 211.461 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 81 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 1.45 2 0.8 3 -0.82 4 -0.82 5 -0.82 6 -0.9 7 -0.9 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 3 acceptor 1 4 acceptor 1 5 acceptor 4 1 3 4 5 anion 7 0 0 0 0 0 0 0 1 1