6362 1 2 3 4 5 6 7 8 9 10 11 53 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.905 -0.1949 -0.8555 -0.8546 -0.2914 -0.3931 -1.9188 -0.7787 -0.3918 -1.918 -0.7778 -0.0004 0 -1.2583 1.2586 0 -2.1626 -1.2818 -1.3091 2.1626 1.2829 1.3095 -0.0962 0.4024 -0.1531 -0.1531 1.4942 0.2577 0.1088 -1.2451 0.2577 0.1087 -1.2451 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018DA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5907 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.415 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8789792262393519506 16714656 1 18410581686033087645 20096714 4 18118124671510374728 21015797 1 9799690423972236403 24536 1 17346886619962966048 5943 1 12431041428179935681 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 94.25 2.21 1.38 0.74 1.38 0 0 0 -0.13 -0.63 -0.11 0.1 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 137.4 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 73.2 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 2 1 -0.19 2 0.19 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 hydrophobe 4 1 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1