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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
PE000019
84
114
-3
287
2
6
5
0
0
-6
PE000020
159
271
-3
656
-2
17
10
3
0
-9
PE000021
180
332
-3
758
-3
20
13
3
0
-8
PE000022
147
252
-3
596
-2
15
10
3
0
-10
PE000023
178
311
-3
742
-3
19
12
3
0
-8
PE000024
136
237
-4
549
0
14
8
3
0
-7
PE000025
134
217
-4
533
0
13
7
3
0
-7
PE000026
86
135
-3
303
1
7
6
1
0
-6
PE000027
118
214
-3
465
-1
12
9
2
0
-9
PE000028
118
214
-3
465
-1
12
9
2
0
-9
PE000029
112
193
-3
435
0
11
8
2
0
-9
PE000030
91
124
-3
317
2
7
5
0
0
-6
PE000031
123
203
-3
479
0
12
8
2
0
-9
PE000032
110
173
-3
419
0
10
7
1
0
-7
PE000033
123
203
-3
479
0
12
8
2
0
-9
These data are only available for scientific research purposes.