24602
1
2
3
8
1
1
2
2
3
2
1
1
2
3
1
1
2
5
10
1
2
3
0
0.2774
0.6068
0
0.8929
-0.2383
0
0.2544
-0.7169
Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
0000601A00000001
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
10.148
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
14.71
0.49
0.49
0.49
0
0
0
0
0
0
0
0
0
0
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.01.18
14.042
Shape
Volume
7
1.8.1
OEShape
openeye.com
2012.01.18
14.7
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
3
1 -0.86
2 0.43
3 0.43
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
2
1 1 acceptor
1 1 donor
1
0
0
0
0
0
0
2
1
1