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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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Records 106 to 120 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000115
76
118
-2
290
2
6
5
0
1
-2
PE000116
105
186
-2
450
0
11
7
2
1
2
PE000117
75
127
-2
304
1
7
5
0
1
0
PE000118
104
166
-2
434
0
10
6
1
1
2
PE000119
107
207
-2
466
0
12
8
2
1
2
PE000120
107
207
-2
466
-1
12
8
2
0
-4
PE000121
77
148
-2
320
1
8
6
1
1
0
PE000122
73
107
-2
288
1
6
4
0
1
0
PE000124
74
110
-2
290
2
6
5
0
1
0
PE000125
74
110
-2
290
2
6
5
0
1
0
PE000126
76
131
-1
306
1
7
6
1
1
0
PE000127
76
131
-1
306
1
7
6
1
1
0
PE000128
110
177
-3
442
2
10
7
1
1
0
PE000129
112
197
-2
458
2
11
8
2
1
0
PE000133
147
218
-3
564
1
12
9
3
0
2
These data are only available for scientific research purposes.
