6422 1 2 3 4 5 6 7 8 9 9 9 8 8 6 6 1 1 2 3 4 4 5 6 6 6 6 7 8 7 7 1 1 1 1 1 2 1 2 5 10 1 2 3 4 5 6 7 8 -1.0632 -1.1343 -1.1076 1.4528 1.5489 -0.5947 0.8981 2.433 1.2616 -0.6123 -0.6386 1.1701 -1.1023 -0.0118 -0.0667 1.1321 -0.0197 1.0916 -1.0875 0.0004 0.0007 0.0013 0.0132 -0.0093 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000191600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.8399 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.28 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18338798888366543680 21015797 1 8574447438231284876 24536 1 18040713684105539060 29004967 10 18192148424240658971 5943 1 12348774606943584551 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 110.5 1.78 1.16 0.81 0.35 0.22 0 -0.05 0.01 0.19 -0.01 -0.32 -0.18 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 213.866 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.2 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 8 1 -0.34 2 -0.34 3 -0.34 4 -0.65 5 -0.57 6 1.08 7 0.66 8 0.5 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 3 1 4 acceptor 1 5 acceptor 3 4 5 7 anion 7 0 0 0 0 0 0 0 1 1