650 1 2 3 4 5 6 7 8 9 10 11 12 8 8 6 6 6 6 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 3 4 4 5 6 7 8 9 10 11 12 2 2 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 1.3283 -1.3283 0.7572 -0.7573 1.475 -1.4749 1.222 2.5543 1.2215 -1.2219 -2.5543 -1.2213 1.1606 1.1605 0.078 0.0779 -1.2385 -1.2385 -1.8043 -1.0595 -1.8054 -1.8044 -1.0597 -1.8054 0.0002 0.0003 -0.0004 -0.0004 0.0002 0.0002 0.8997 -0.0003 -0.8985 0.8997 -0.0004 -0.8985 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000028A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.322 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.157 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288343648761891 16714656 1 17762063142376734094 20096714 4 18337956671023143673 21015797 1 9295025556074541761 21040471 1 18122626050360006853 24536 1 18338502097462381607 29004967 10 17974011944461426651 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 2.06 1.49 0.58 0 0.08 0 0.3 0 0 0 0 0.04 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 204.775 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 6 2 3 4 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.57 2 -0.57 3 0.51 4 0.51 5 0.06 6 0.06 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 2 1 1 acceptor 1 2 acceptor 6 0 0 0 0 0 0 0 1 3