70398809
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8
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1
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1
1
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1
1
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1
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1
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10
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Conformer
RMSD
7
2012.05.21
0.6
Diverse Conformer
ID List
6
2012.05.21
1
20
16
23
25
12
24
10
7
17
21
8
26
22
19
3
5
9
11
18
14
6
4
13
15
2
Charge
MMFF94 Partial
2
1.7.6
OEChem
openeye.com
2012.05.21
16
1 -0.23
10 -0.15
12 0.66
13 0.06
16 0.15
17 0.15
18 0.15
2 -0.53
22 0.45
3 -0.57
4 -0.14
5 0.14
6 0.08
7 -0.15
8 0.08
9 -0.15
Count
Effective Rotor
7
1.7.6
OEChem
ncbi.nlm.nih.gov
2012.05.21
3
Features
Pharmacophore
2
ImplicitMillsDean merged
1.8.1
OEShape
openeye.com
2012.05.21
4
1 11 hydrophobe
1 2 donor
1 3 acceptor
6 4 6 7 8 9 10 rings
13
0
0
0
0
0
0
0
1
3