12416 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 3 4 5 6 7 8 9 10 11 12 13 14 15 3 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 2.2081 -0.4321 -0.9406 -0.9415 -0.9414 1.0475 -0.5882 -2.0359 -0.5881 -0.5896 -0.589 -2.0368 -0.5889 -2.0367 -0.5894 -0.0001 0 1.3624 -0.2555 -1.1064 -0.0004 2.1761 1.3962 1.577 -1.2211 0.5168 -0.2614 -0.9547 -1.1332 -2.0937 -0.0001 0 0.4913 -1.4251 0.9341 -0.0001 -0.1539 0.5035 1.5072 -1.8074 -2.1192 -1.4599 1.9613 0.9571 0.612 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000308000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.9914 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 17983299226954675704 21040471 1 18119263761029733344 24536 1 18335417972052887360 29004967 10 17770761700833564983 5943 1 8915920969320982023 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 118.5 1.92 1.15 1.15 1.44 0.16 -0.36 0 0 -0.49 0.36 -0.49 -0.16 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 214.687 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 3 1 -0.56 2 0.2 6 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 4 2 3 4 5 hydrophobe 6 0 0 0 0 0 0 0 1 1