6363 1 2 3 4 5 6 7 8 9 10 11 12 13 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 12 13 3 4 5 6 7 8 9 10 11 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 -0.1164 0.0019 1.3114 -1.1969 -0.0012 1.4143 1.3627 2.1726 -2.1356 -1.144 -1.2409 -0.1088 0.6993 1.3888 0.0143 -0.6051 -0.7981 0.0332 -1.6288 -0.6418 -0.0313 -0.3601 -1.8242 -0.8467 1.3978 1.9261 -0.1236 0.3611 -0.1193 -0.1181 1.4566 0.2562 -1.2133 0.2406 0.239 0.2614 -1.2121 -1.1431 0.168 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018DB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -5.6468 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 139733 1 8790891778173935434 20096714 4 17183903008921445365 21015797 1 9798534824276916602 5943 1 11932023695004990610 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.34 1.44 1.24 0.64 0.04 0.44 0.02 -0.55 -0.09 -0.03 -0.09 0 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 125.392 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 4 1 -0.99 12 0.36 13 0.36 2 0.27 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 cation 1 1 donor 3 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1