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0
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Conformer
ID
11
2.1
PubChem
ncbi.nlm.nih.gov
2009.12.11
00AD091500000001
Energy
MMFF94 NoEstat
7
1.7.2
Szybki
openeye.com
2012.11.26
175.608
Feature
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
272.02
Fingerprint
Shape
2
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
10863032 1 13892693724766072046
10948715 1 12014402211598736390
11578080 2 11262636661298237421
12156800 1 14956526054265615221
144361 1 13656631859579550234
16945 1 11441341793314051571
20691752 17 11993077527439188216
20905425 154 16123816311763155421
22121540 332 10908426353169131658
23419403 2 16696157318693927566
35225 105 14540900243675946805
57527452 28 12084254387686933627
Shape
Multipoles
8
1.8.3
OEShape
openeye.com
2012.11.26
720.28
3.17
3.17
3.17
0.11
0.07
0.41
-0.55
-0.18
-0.22
-0.23
0.11
0.48
0.26
Shape
Self Overlap
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
1886.978
Shape
Volume
7
1.8.3
OEShape
openeye.com
2012.11.26
283.7
Conformer
RMSD
7
2009.12.11
0.8
Diverse Conformer
ID List
6
2010.05.05
1
Charge
MMFF94 Partial
2
1.7.6
OEChem
openeye.com
2012.05.21
0
Count
Effective Rotor
7
1.7.6
OEChem
ncbi.nlm.nih.gov
2012.01.18
1.2
Features
Pharmacophore
2
ImplicitMillsDean merged
1.8.1
OEShape
openeye.com
2012.05.21
28
6 1 2 3 6 9 18 rings
6 1 2 3 7 10 20 rings
6 1 2 4 7 12 21 rings
6 1 2 4 8 13 22 rings
6 1 2 5 6 15 19 rings
6 1 2 5 8 16 23 rings
6 1 3 4 10 12 25 rings
6 1 3 4 11 14 26 rings
6 1 3 5 11 17 27 rings
6 1 3 5 9 15 24 rings
6 1 4 5 13 16 28 rings
6 1 4 5 14 17 29 rings
6 11 14 17 26 27 29 rings
6 2 6 7 18 20 30 rings
6 2 6 8 19 23 31 rings
6 2 7 8 21 22 32 rings
6 3 10 11 25 26 34 rings
6 3 9 10 18 20 30 rings
6 3 9 11 24 27 33 rings
6 4 12 13 21 22 32 rings
6 4 12 14 25 26 34 rings
6 4 13 14 28 29 35 rings
6 5 15 16 19 23 31 rings
6 5 15 17 24 27 33 rings
6 5 16 17 28 29 35 rings
6 6 9 15 18 19 24 rings
6 7 10 12 20 21 25 rings
6 8 13 16 22 23 28 rings
35
0
0
0
0
0
0
0
1
1