24530
1
2
3
4
7
7
7
1
1
1
3
-1
1
1
2
2
3
4
2
2
1
2
5
10
1
2
3
4
0.034
-1.208
1.174
-1.584
0
0
0
-0.6391
0
0
0
0.7091
Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
00005FD200000001
Energy
MMFF94 NoEstat
7
1.6.0
Szybki
openeye.com
2012.01.18
-0.0124
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 18122625230021162404
Shape
Multipoles
8
1.8.1
OEShape
openeye.com
2012.01.18
46.8
1.46
0.51
0.51
0.05
0
0
0
0
0
0
0
0
0
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
76.377
Shape
Volume
7
1.8.1
OEShape
openeye.com
2012.01.18
32.4
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 0.69
2 -0.72
3 -0.37
4 0.4
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
3
0
0
0
0
0
0
0
1
1