281
1
2
8
6
1
1
2
-1
1
2
3
2
5
10
1
2
0.5285
-0.5285
0
0
0
0
Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
0000011900000001
Energy
MMFF94 NoEstat
7
1.6.0
Szybki
openeye.com
2012.01.18
0
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
21015797 1 18410575097600728333
260 1 18410856563966405383
Shape
Multipoles
8
1.8.1
OEShape
openeye.com
2012.01.18
35.29
0.84
0.56
0.56
0.05
0
0
0
0
0.03
0
0.03
0
0
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
53.568
Shape
Volume
7
1.8.1
OEShape
openeye.com
2012.01.18
25.3
Conformer
RMSD
7
2009.12.11
0.4
Diverse Conformer
ID List
6
2010.05.05
1
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
0
2
0
0
0
0
0
0
0
1
1