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ADMET for phenolic compounds
Mra Y enzyme
Mur A enzyme
Mur B enzyme
Mur C enzyme
Mur D enzyme
Mur E enzyme
Mur F enzyme
Mur G enzyme
Mur I enzyme, head-head dimer, site 1
Mur I enzyme, head-head dimer, site 2
Mur I enzyme, tail-tail dimer
ADMET for phenolic compounds
Mra Y enzyme
Mur A enzyme
Mur B enzyme
Mur C enzyme
Mur D enzyme
Mur E enzyme
Mur F enzyme
Mur G enzyme
Mur I enzyme, head-head dimer, site 1
Mur I enzyme, head-head dimer, site 2
Mur I enzyme, tail-tail dimer
ADMET
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Records 916 to 930 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE001050
50
84
-1
218
0
5
2
0
0
-4
PE001051
42
61
-1
154
1
3
3
0
0
-4
PE001052
85
59
-3
293
4
4
2
0
0
-9
PE001053
56
110
-1
262
-1
7
2
0
1
2
PE001054
51
90
-1
232
0
6
1
0
0
-3
PE001055
52
110
-1
248
-1
7
2
0
1
0
PE001056
45
47
-2
166
1
3
1
0
0
-2
PE001057
50
101
-1
232
-1
6
2
0
1
-2
PE001058
57
110
-1
262
-1
7
2
0
0
-2
PE001059
40
58
-2
152
1
3
2
0
0
-2
PE001060
65
107
-4
260
2
6
4
0
0
-1
PE001061
43
37
-2
150
2
2
1
0
1
-2
PE001062
16
63
0
75
-3
3
2
0
0
-2
PE001063
45
28
-2
168
1
3
0
0
1
-2
PE001064
55
96
-1
225
0
6
3
0
0
-3
These data are only available for scientific research purposes.
