151398 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 8 9 9 10 10 5 15 7 16 4 6 9 5 11 7 8 12 8 13 10 14 17 18 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 -1.6559 -2.9838 1.1607 0.4347 -0.9578 0.4941 -1.6243 -0.8983 2.6127 3.418 0.9285 1.0442 -1.405 3.0838 -2.6044 -3.2684 4.4943 3.0386 2.0229 -0.414 -0.3062 0.8849 0.853 -1.5291 -0.3699 -1.561 -0.2736 0.6932 1.8511 -2.4672 -2.5206 -1.1307 1.8132 -1.3429 0.6034 1.5685 0.038 -0.1165 0.1067 0.1096 0.0352 0.0296 -0.042 -0.0447 0.1852 -0.3012 0.1827 0.025 -0.1048 0.6615 -0.0193 -0.1635 -0.1946 -0.8161 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00024F6600000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 25.519 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.301 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11206711 2 18411693279551846573 12897270 3 18411699906786357406 13024252 1 11241960499466419054 14325111 11 18410575046441006856 16945 1 18411975892605109090 193761 8 17978791203526768979 20871998 184 18129105691426239022 21040471 1 18267581317048936826 23235685 24 18410006654363127399 23402655 69 18196352759949402997 23552423 10 18191305974921909362 2748010 2 18195248814860062783 369184 2 18334572460416979770 5084963 1 18202565072779423066 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 194.06 4.08 1.67 0.62 2.06 0.17 0 0.62 -0.31 -0.65 0.01 0.08 -0.01 -0.12 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 405.506 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 110.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 18 1 -0.53 10 -0.3 11 0.15 12 0.15 13 0.15 14 0.15 15 0.45 16 0.45 17 0.15 18 0.15 2 -0.53 3 0.03 4 -0.15 5 0.08 6 -0.15 7 0.08 8 -0.15 9 -0.18 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 donor 1 10 hydrophobe 1 2 donor 6 3 4 5 6 7 8 rings 10 0 0 0 0 0 0 0 1 10