24404
1
2
3
4
15
1
1
1
1
1
1
2
3
4
1
1
1
2
5
10
1
2
3
4
0
-0.6323
1.2032
0.461
0
0.513
0.7159
-1.1757
0
1.1573
0.2052
0.6383
Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
00005F5400000001
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
2012.01.18
260 1 18410856563934756871
Shape
Multipoles
8
1.8.1
OEShape
openeye.com
2012.01.18
24.43
0.69
0.69
0.69
0
0
0
0
0
0
0
0
0
0
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
23.32
Shape
Volume
7
1.8.1
OEShape
openeye.com
2012.01.18
24.4
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 -0.29
2 0.1
3 0.1
4 0.1
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
1
0
0
0
0
0
0
0
1
1