70452139
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26
8
8
6
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6
6
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6
1
1
1
1
1
1
1
1
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12
24
4
5
8
7
15
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10
7
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14
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26
1
1
1
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2
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1
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1
1
1
1
2
1
1
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1
1
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5
10
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Conformer
RMSD
7
2012.05.21
0.6
Diverse Conformer
ID List
6
2012.05.21
1
4
2
3
Charge
MMFF94 Partial
2
1.7.6
OEChem
openeye.com
2012.05.21
22
1 -0.16
10 -0.15
11 -0.15
12 0.08
13 -0.29
14 -0.3
17 0.15
18 0.15
2 -0.53
21 0.15
22 0.15
23 0.15
24 0.45
25 0.15
26 0.15
3 -0.14
4 0.28
5 0.08
6 -0.06
7 -0.29
8 -0.15
9 0.28
Count
Effective Rotor
7
1.7.6
OEChem
ncbi.nlm.nih.gov
2012.05.21
2.4
Features
Pharmacophore
2
ImplicitMillsDean merged
1.8.1
OEShape
openeye.com
2012.05.21
5
1 1 acceptor
1 14 hydrophobe
1 2 donor
6 1 3 4 5 6 7 rings
6 3 5 8 10 11 12 rings
14
0
0
0
0
0
0
0
1
3