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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
PE000050
143
252
-3
582
-2
15
10
3
0
-10
PE000051
130
217
-4
519
0
13
7
3
0
-12
PE000052
162
209
-5
610
2
13
7
3
0
-6
PE000053
110
173
-3
419
0
10
7
1
0
-7
PE000054
127
192
-3
493
0
12
7
2
0
-9
PE000055
117
182
-3
449
0
11
7
2
0
-9
PE000056
147
252
-3
596
-1
15
10
3
0
-3
PE000057
112
193
-3
435
0
11
8
2
0
-7
PE000058
164
229
-5
626
1
14
8
3
0
-6
PE000059
114
173
-3
433
0
10
7
1
0
-9
PE000060
141
232
-3
566
-1
14
9
3
0
-10
PE000061
145
273
-3
598
-2
16
11
3
0
-10
PE000062
174
311
-3
728
-2
19
12
3
0
-9
PE000063
142
218
-4
561
0
14
7
3
0
-8
PE000064
160
240
-4
612
1
14
9
3
0
-6
These data are only available for scientific research purposes.