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-1.4869 -1.2366 1.3132 -0.2659 -1.2021 0.2862 0.2019 -1.309 -0.4959 1.2084 -0.3854 1.176 0.9509 -0.8025 -1.4953 0.0221 0.8602 2.3348 2.4294 2.4178 2.1466 2.0481 2.27 1.4989 0.7761 -0.8041 -1.8967 -1.9107 -0.3554 -0.7434 -0.8103 0.2874 0.9447 -1.2511 -1.1482 -1.4379 1.7675 2.3777 2.1709 0.3963 0.4926 -0.3959 1.1891 -1.5012 -2.2861 -0.7242 -2.3467 -1.4827 -0.8132 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0062487400000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 104.8533 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.837 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 17894633642812193321 10050765 1 18123185972910045696 10076449 9 18130791187549677075 10299344 5 18333732412279958102 10411042 1 17977103789225701979 106641 1 12107791813000269940 11007060 377 18261397814204962498 11181472 205 17459463364731126716 11315181 36 18131354120323216329 11524674 6 16559031605882463366 11578080 2 16952795178258039799 11719270 70 18201999907177421342 12236239 1 17967532372499877744 13533116 47 16660916700520256088 13811026 1 18272366508208017880 14117953 113 18410291402289898381 14251764 18 18040713680148097422 14294032 229 18188772725791074197 14856354 85 18334016129003276903 15064986 266 18262521511448073147 15183329 4 18410858763659580570 15247644 1 15769779048783550734 15276724 80 17530678806346023844 15461852 350 18341896324554999943 15510794 2 17988923376030360630 1577012 14 17967810531229157440 15849732 13 17967536779125813364 15927050 60 18408035221510331651 16087824 20 18338515228391605525 18681886 176 18340480153330407001 19611394 137 17823993418859165435 21267235 1 18411983602635888363 21360443 120 18040714744889375227 21792934 111 18340194234175563336 21792961 116 18131639971718854450 22224240 67 14345796054360644440 23522609 53 18196683789995576120 23559900 14 18271235127263958025 23569917 315 18272093815738983615 23569943 247 17699583446175210958 23576562 1 18115875281183990236 249057 3 18410855481624435253 3004659 81 18335137618347925920 335352 9 18411135844273006317 350125 39 18408321082043172660 4017518 198 17632861927509966198 4073 2 17967819365967044394 4093350 32 14707197800049130976 4325135 7 18335421257338911260 44802255 64 16515671253231082815 484989 97 18270682094558529259 5265222 85 18268151036382922374 5758199 1 16370724824882410024 59682541 35 7997964666110498796 5969126 39 14979961345816368019 59755656 215 18341895160845657174 59755656 520 17167858677799275499 6328613 192 18187369865492531468 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 632.1 24.85 2.17 1.17 23.14 0.33 -0.39 -1.55 8.73 -1.34 0.21 0.86 -0.22 -0.6 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1303.075 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 363.2 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 4 5 7 11 10 8 6 3 2 9 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 9 1 -0.68 19 0.14 21 0.28 24 -0.29 25 -0.28 26 0.14 27 0.14 68 0.15 69 0.4 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 6.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 10 1 1 acceptor 1 1 donor 1 23 hydrophobe 1 27 hydrophobe 1 29 hydrophobe 3 28 30 31 hydrophobe 5 4 5 8 12 14 rings 6 2 3 4 5 9 10 rings 6 2 3 6 7 11 13 rings 6 6 7 15 16 20 21 rings 31 11 11 0 1 1 0 0 1 1