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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
PE000601
102
94
-3
388
2
7
2
0
1
1
PE000602
102
87
-2
388
2
7
2
0
1
-1
PE000603
105
104
-2
416
2
8
2
0
1
0
PE000604
99
99
-3
362
3
6
4
0
0
-4
PE000605
90
55
-4
354
3
6
0
0
0
-1
PE000606
91
65
-5
370
3
7
0
0
0
-1
PE000607
93
76
-4
372
3
7
1
0
1
0
PE000608
92
76
-4
370
3
7
1
0
0
-1
PE000609
189
313
-3
857
-3
22
10
3
0
-6
PE000610
156
234
-4
695
-1
17
7
3
0
-5
PE000611
124
155
-4
532
1
12
4
2
0
-5
PE000612
34
39
-2
138
1
3
1
0
0
-2
PE000613
158
234
-3
697
-1
17
7
3
0
-4
PE000614
97
105
-2
374
2
7
3
0
1
1
PE000615
97
105
-2
374
2
7
3
0
1
0
These data are only available for scientific research purposes.