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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
PE000394
70
67
-3
254
2
4
2
0
0
0
PE000395
74
56
-3
268
2
4
1
0
1
0
PE000396
72
87
-3
270
2
5
3
0
0
0
PE000397
76
76
-3
284
2
5
2
0
1
0
PE000398
76
76
-3
284
2
5
2
0
0
0
PE000399
70
80
-4
268
3
5
2
0
0
0
PE000400
108
155
-3
446
0
10
5
0
0
-3
PE000401
111
152
-3
458
0
10
4
0
0
1
PE000402
119
210
-3
518
-1
13
6
3
0
-7
PE000403
102
146
-3
416
0
9
5
0
0
-4
PE000404
104
166
-3
432
0
10
6
1
0
-4
PE000405
113
172
-3
474
0
11
5
1
0
1
PE000406
117
161
-3
488
0
11
4
1
0
1
PE000407
117
189
-3
502
0
12
5
2
0
-7
PE000408
124
199
-3
532
0
13
5
2
0
-7
These data are only available for scientific research purposes.