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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
PE000616
149
158
-3
559
3
10
6
2
0
-3
PE000617
98
99
-3
360
2
6
4
0
0
-4
PE000618
96
102
-3
372
2
7
2
0
0
-2
PE000619
98
109
-2
376
2
7
4
0
1
0
PE000620
94
85
-3
356
2
6
2
0
1
0
PE000621
106
79
-4
374
4
5
3
0
0
1
PE000622
97
105
-3
374
2
7
3
0
1
1
PE000623
147
147
-3
557
2
10
5
1
0
0
PE000624
96
68
-3
344
3
5
2
0
0
-2
PE000625
105
63
-4
386
3
6
0
0
1
0
PE000626
90
55
-4
354
3
6
0
0
0
-1
PE000672
47
20
-3
150
3
1
1
0
0
-2
PE000673
40
40
-1
138
1
2
2
0
0
-4
PE000674
42
61
-1
154
1
3
3
0
0
-4
PE000675
51
67
-1
196
1
4
2
0
0
-2
These data are only available for scientific research purposes.