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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
PE000299
136
283
-2
610
-2
17
10
3
0
-1
PE000303
144
255
-3
625
-1
16
9
3
0
-2
PE000304
112
175
-3
462
1
11
6
2
0
-2
PE000305
107
203
-2
462
0
12
7
2
0
0
PE000306
113
196
-3
478
0
12
7
2
0
-4
PE000307
141
286
-2
627
-2
17
11
3
0
-4
PE000308
142
286
-2
627
-2
17
11
3
1
2
PE000309
79
148
-2
318
1
8
6
1
0
0
PE000310
77
127
-2
302
1
7
5
0
0
0
PE000311
90
99
-3
299
0
6
2
0
0
0
PE000312
111
227
-2
480
-1
13
9
2
0
-4
PE000313
111
227
-2
480
-1
13
9
2
0
-4
PE000314
136
266
-2
596
-2
16
10
3
0
-2
PE000315
117
192
-3
490
1
12
6
2
1
1
PE000316
107
186
-2
448
0
11
7
2
0
-4
These data are only available for scientific research purposes.