10986786 1 2 3 4 5 6 7 8 9 10 16 9 9 9 8 8 7 7 7 6 8 1 9 -1 1 1 1 1 2 3 4 7 8 5 6 7 10 10 10 10 8 9 2 2 1 1 1 1 1 2 2 7 -1 1 8 -1 9 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.0986 -1.6457 -1.6479 -2.4838 0.2115 0.2116 1.0664 2.2791 3.3881 -1.4779 -0.551 1.0247 1.0203 -0.6706 -1.2608 -1.2606 0.7637 0.4823 0.2146 0.2374 0 -1.0899 1.0928 -0.0029 -1.2611 1.2613 -0.0001 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00A7A52200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5684 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.24 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17917146212173732591 20653085 51 17560258971583149104 23235685 24 18131348592273012233 24536 1 17914887639513067587 5084963 1 18335419105602656032 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 161.14 3.5 1.17 1.02 2.29 0.16 0 -0.79 0 -0.22 0 -0.28 0.16 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 305.211 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 99.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 1.38 10 1.13 2 -0.34 3 -0.34 4 -0.34 5 -0.65 6 -0.65 7 -0.51 8 0.69 9 -0.37 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 5 acceptor 1 6 acceptor 1 7 donor 10 0 0 0 1 0 1 0 1 1