7820 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 5 6 6 6 9 9 9 10 10 10 7 9 8 10 7 8 6 7 11 12 8 13 14 15 16 17 18 19 20 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 -2.9164 2.9175 -2.0982 2.0966 -0.5869 0.587 -1.9299 1.9297 -4.2545 4.2553 -0.538 -0.529 0.521 0.5466 -4.4114 -4.4565 -4.9402 4.9421 4.4217 4.4462 0.7341 -0.7335 -1.4217 1.4214 0.4872 -0.489 -0.2103 0.2099 0.2266 -0.2247 1.0991 1.1525 -1.1177 -1.1377 -0.3887 -0.349 1.0774 -1.0747 0.393 0.3489 0.0297 0.0323 -0.0383 -0.0317 -0.0447 -0.0173 -0.0158 -0.0043 0.0521 0.038 -0.9528 0.8249 0.8784 -0.9 0.9431 -0.8563 0.088 0.0681 0.9257 -0.874 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001E8C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.054 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 11062470 55 15913325784182426561 12932764 1 17168129165779578694 14325111 11 18410855507420287820 20201158 50 18343304742835952894 20279233 1 17489312987990362078 20645477 70 18200877262597254838 20719005 15 18410575089359024811 21119208 17 18410856551049854988 23402539 116 18060129921776483357 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 182.32 7.67 1.06 0.58 0 0 0 0 -0.19 0 0.01 0 0 -0.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 340.792 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 114.5 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2012.02.08 1 8 4 21 3 9 27 10 14 26 24 15 28 16 7 5 2 19 18 20 12 23 25 17 13 22 11 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 -0.43 10 0.28 2 -0.43 3 -0.57 4 -0.57 5 0.06 6 0.06 7 0.66 8 0.66 9 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 5 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 3 acceptor 1 4 acceptor 10 0 0 0 0 0 0 0 1 1