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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
PE000283
138
234
-2
595
-1
15
8
3
0
1
PE000284
154
278
-2
681
-1
18
8
3
0
-7
PE000285
112
175
-3
462
0
11
6
2
0
-3
PE000286
127
219
-3
548
0
14
6
3
0
-7
PE000287
137
279
-2
622
-2
17
9
3
0
-1
PE000288
168
304
-3
741
-3
19
11
3
0
-3
PE000290
75
107
-3
286
2
6
4
0
0
0
PE000291
77
127
-2
302
1
7
5
0
0
0
PE000292
109
207
-2
464
0
12
8
2
0
-4
PE000293
109
207
-2
464
0
12
8
2
0
-4
PE000294
103
186
-2
434
0
11
7
2
0
-4
PE000295
108
186
-3
448
1
11
7
2
1
2
PE000296
140
266
-2
611
-1
16
10
3
1
2
PE000297
142
286
-2
627
-2
17
11
3
0
-5
PE000298
103
186
-2
434
0
11
7
2
0
-4
These data are only available for scientific research purposes.