10996 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 4 4 4 4 5 5 5 6 6 7 7 7 3 6 3 5 6 8 9 7 10 11 12 13 14 15 16 1 1 2 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 -1.2349 -3.5083 -2.4124 1.1595 2.4205 -0.1016 3.6772 1.1517 1.1501 2.4145 2.4424 -0.1134 -0.1238 3.7019 3.7308 4.568 -0.367 -0.333 0.4316 -0.3618 0.4975 0.4902 -0.3576 -1.0072 -1.0394 1.1508 1.1449 1.1177 1.1387 -0.9922 -1.0027 0.2781 -0.0071 0.0078 0.0095 -0.0223 -0.0046 -0.0046 0.0213 -0.9097 0.8408 0.8757 -0.8889 0.8958 -0.8898 0.9129 -0.8615 0.0322 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002AF400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0565 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 11062470 55 8646769997470765406 14325111 11 18410856564119399174 14390081 3 18343299266710459040 5460574 1 9223231844832574309 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 127.34 6.14 0.75 0.58 1.25 0.03 0 -0.69 -0.05 -0.12 0 -0.11 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 217.321 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 86.2 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2012.02.08 1 35 5 14 28 33 7 4 9 31 12 34 21 27 17 23 32 36 22 16 13 11 2 25 6 24 10 20 18 26 19 30 29 15 8 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.09 2 -0.3 3 0.12 6 0.28 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 1 1 7 hydrophobe 7 0 0 0 0 0 0 0 1 1