141059 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 15 15 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 3 5 6 4 7 8 4 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 1 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 24 2.1824 -2.1841 0.6131 -0.5999 3.3906 2.2465 -3.3771 -2.2715 0.5855 0.5996 -0.5831 -0.5914 3.3757 3.1715 4.4032 3.2281 2.0714 1.496 -3.3431 -3.1645 -4.396 -2.1204 -1.5127 -3.2503 -0.4504 -0.4368 -0.447 -0.4197 -0.4222 1.3087 -0.4639 1.3312 -1.3512 0.406 0.456 -1.3048 -1.3743 0.3768 -0.2675 1.5419 1.9864 1.5161 -1.4291 0.3192 -0.3151 1.991 1.5712 1.5598 -0.4844 0.5005 0.4655 -0.458 0.8957 -1.0001 -0.889 0.9697 1.0862 1.1538 -1.1165 -1.1064 1.4343 1.6104 0.5118 -1.4236 -0.1592 -1.768 -1.4027 -1.6231 -0.5195 0.1101 1.7201 1.4019 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0002270300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.2874 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12162725 195 18410578387493052961 12932741 1 15647057079037905071 12932764 1 17131847442468658303 14325111 11 17131833135916790506 14390081 3 17632298934489994747 20651381 32 17240198837444904198 20711983 171 18130521750897000077 23552423 10 18128831750054222119 23557571 272 16773800298440726345 3248919 1 18410581686028092203 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 172.34 6.03 1.2 1.18 0.01 0.49 -0.01 -0.12 0.02 -0.03 0 0.01 0.15 -0.92 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 265.17 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 126.3 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 3 9 5 8 7 6 4 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.5 2 -0.5 3 0.17 4 0.17 5 0.17 6 0.17 7 0.17 8 0.17 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 3 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 8 0 0 0 0 0 0 0 1 1