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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
PE001016
112
66
-5
402
5
6
1
0
0
-2
PE001017
142
102
-6
537
5
9
1
2
0
3
PE001018
105
66
-6
386
5
6
1
0
0
-2
PE001019
117
55
-5
417
5
6
0
0
0
-2
PE001020
109
55
-6
400
5
6
0
1
0
-2
PE001021
102
55
-7
384
5
6
0
1
0
-2
PE001022
88
101
-2
318
2
5
5
0
0
-4
PE001023
88
101
-2
318
2
5
5
0
0
-4
PE001024
88
101
-2
318
2
5
5
0
0
-4
PE001025
85
87
-3
314
2
5
3
0
1
0
PE001026
85
87
-3
314
2
5
3
0
1
0
PE001027
85
87
-3
314
2
5
3
0
1
0
PE001028
85
87
-3
314
2
5
3
0
1
0
PE001029
85
87
-3
314
2
5
3
0
1
0
PE001030
85
87
-3
314
2
5
3
0
1
0
These data are only available for scientific research purposes.