8900 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 2 3 8 9 4 10 11 5 12 13 6 14 15 7 16 17 18 19 20 21 22 23 1 1 1 1 1 1 1 1 1 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 21 22 23 0.0121 -1.2561 1.2696 -2.5446 2.5379 -3.8081 3.7891 0.0085 0.0194 -1.2376 -1.2639 1.2722 1.258 -2.5505 -2.5631 2.5674 2.5317 -4.6953 -3.8427 -3.855 3.8059 3.8425 4.6839 -0.5058 0.3507 0.3664 -0.474 -0.4864 0.3723 0.3768 -1.1562 -1.1571 1.0153 0.9951 1.003 1.0323 -1.1044 -1.1499 -1.1374 -1.1359 -0.2679 1.036 0.9877 1.0157 1.018 -0.2533 0.0205 0.0091 0.0269 -0.0216 -0.0003 -0.0071 -0.0275 0.9034 -0.8618 -0.8636 0.8971 0.9199 -0.8446 -0.9187 0.8416 0.8812 -0.8834 -0.0307 -0.8768 0.8968 -0.9163 0.8581 -0.0453 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000022C400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -5.4392 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11062470 55 18410575084663098401 12932764 1 18338783576739334307 14325111 11 18410573985156888298 20719005 15 18410012143695289547 5460574 1 9295289443376485610 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 144.06 7.04 0.8 0.62 0.13 0.02 0 -0.82 -0.08 -0.01 0 0 0 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 243.88 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 98.4 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2012.02.08 1 13 9 18 8 17 6 10 2 14 7 4 15 16 3 12 11 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 6 hydrophobe 1 7 hydrophobe 5 1 2 3 4 5 hydrophobe 7 0 0 0 0 0 0 0 1 1