19310 1 2 3 4 5 6 7 8 9 10 11 16 16 16 6 6 1 1 1 1 1 1 1 1 2 2 4 4 4 5 5 5 3 4 3 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 -1.3794 1.3792 -0.0002 -2.5733 2.5736 -2.0999 -3.38 -3.0091 3.3802 3.0095 2.1004 -0.8728 0.8726 0.0002 0.4677 -0.4677 1.3322 0.1204 0.7595 -0.1203 -0.759 -1.3325 0.1599 0.1601 -1.0871 0.3836 0.3834 0.8566 1.035 -0.5757 1.0349 -0.5759 0.8561 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00004B6E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -12.5932 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 139733 1 15697728093873504509 14390081 3 15051741862997935683 16714656 1 16443059482791561898 20096714 4 16845298296899809772 20651381 17 17561076982469529317 23552449 1 12821860920865265324 29004967 10 15502372356903033932 5460574 1 9223237346680373296 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 114.45 3.86 1.07 0.98 0 0 0.26 0 -1.11 0 -0.09 0 0 -0.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 157.866 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 91.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 5 15 4 14 13 8 3 6 7 12 2 11 9 10 16 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.23 2 -0.23 4 0.23 5 0.23 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 2 1 4 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1