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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
PE000443
108
221
-5
470
1
13
7
2
0
-2
PE000444
72
166
-1
332
-1
10
6
1
0
-3
PE000445
635
1311
-18
2806
6
78
43
4
0
0
PE000446
425
877
-14
1871
4
52
29
3
0
0
PE000447
353
744
-9
1569
2
44
25
3
0
-3
PE000449
247
511
-8
1085
2
30
17
3
0
0
PE000627
92
76
-4
370
3
7
1
0
0
-1
PE000628
156
234
-4
695
-1
17
7
3
0
-6
PE000630
51
47
-2
178
1
3
1
0
0
-5
PE000631
57
56
-2
208
1
4
1
0
0
-5
PE000632
44
29
-2
150
2
2
1
0
0
-5
PE000633
44
29
-2
152
2
2
1
0
1
-2
PE000634
72
50
-3
242
3
3
2
0
0
-1
PE000635
42
26
-2
146
1
2
0
0
0
-3
PE000636
41
26
-3
146
1
2
0
0
1
-2
These data are only available for scientific research purposes.