13568 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 3 5 7 8 4 6 9 10 11 12 13 14 15 16 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.0684 -2.0683 2.6211 -2.6212 0.6005 -0.6005 2.4285 2.4488 -2.449 -2.4279 3.7155 2.3004 2.28 -2.2799 -2.301 -3.7156 0.4718 0.4718 -0.9425 -0.9425 0.4707 0.4706 0.9745 1.0383 1.0387 0.9741 -0.9239 -1.4641 -1.5282 -1.5285 -1.4637 -0.9237 0.0241 -0.0245 -0.0208 0.0208 0.0073 -0.0069 0.9286 -0.8331 0.8323 -0.9293 -0.0076 -0.9292 0.8399 -0.8395 0.9296 0.0071 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000350000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -3.7093 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 9295283941502319404 23552423 10 18186804668653671862 29004967 10 18131350812744724080 5460574 1 9295292741763792800 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 123.48 4.45 1.06 0.62 0 0.21 0 1.43 0 0 0 0 0 0.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 214.944 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80 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 4 1 0.2 2 0.2 5 -0.2 6 -0.2 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 3 hydrophobe 1 4 hydrophobe 6 0 0 0 0 0 0 0 1 1