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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
PE000842
74
107
-2
286
1
6
4
0
0
0
PE000843
74
98
-3
274
2
5
4
0
0
0
PE000844
78
87
-3
288
2
5
3
0
0
0
PE000845
74
107
-2
286
1
6
4
0
1
0
PE000846
72
87
-3
270
2
5
3
0
0
0
PE000847
78
87
-3
288
2
5
3
0
1
0
PE000848
74
98
-3
274
2
5
4
0
0
0
PE000850
72
87
-3
270
2
5
3
0
1
0
PE000851
74
107
-2
286
1
6
4
0
1
0
PE000852
72
87
-3
270
2
5
3
0
0
0
PE000853
76
67
-3
272
3
4
2
0
0
0
PE000854
76
76
-3
284
2
5
2
0
1
0
PE000857
102
163
-3
430
0
10
5
0
0
0
PE000859
102
163
-3
430
0
10
5
0
0
0
PE000860
76
76
-3
286
3
5
2
0
0
0
These data are only available for scientific research purposes.
