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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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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000096
155
282
-3
642
-2
17
11
3
0
-9
PE000097
119
162
-4
447
1
10
6
1
0
-3
PE000098
82
94
-4
271
2
5
4
0
0
-6
PE000099
110
139
-5
399
2
9
4
0
0
-5
PE000100
131
122
-6
447
4
8
4
0
0
-5
PE000101
133
142
-5
463
4
9
5
0
0
-5
PE000104
75
98
-3
272
2
5
4
0
0
0
PE000105
104
87
-4
354
4
5
3
0
0
0
PE000106
75
98
-3
272
2
5
4
0
1
0
PE000108
74
98
-3
274
2
5
4
0
1
-2
PE000109
106
177
-2
436
0
10
7
1
0
-5
PE000110
132
236
-2
569
-1
14
9
3
0
-4
PE000111
132
236
-2
569
-1
14
9
3
0
-4
PE000112
134
256
-2
585
-2
15
10
3
0
-5
PE000113
108
197
-2
452
0
11
8
2
0
-5
These data are only available for scientific research purposes.