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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 526 to 540 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000540
56
84
-2
222
1
5
2
0
1
-1
PE000541
80
134
-2
336
0
8
4
0
1
-2
PE000542
80
134
-2
336
0
8
4
0
1
-2
PE000544
84
123
-2
350
0
8
3
0
1
-2
PE000545
84
123
-2
350
0
8
3
0
1
-1
PE000546
123
180
-3
498
1
11
5
1
0
-2
PE000547
78
113
-2
320
0
7
3
0
1
-2
PE000548
78
113
-2
320
0
7
3
0
1
-2
PE000549
43
37
-2
148
1
2
1
0
0
0
PE000550
93
147
-2
359
1
8
6
1
0
-10
PE000551
70
144
-1
295
-1
8
5
0
0
-9
PE000552
68
124
-2
279
0
7
4
0
0
-9
PE000553
89
107
-3
327
2
6
4
0
0
-10
PE000554
91
127
-2
343
1
7
5
0
0
-10
PE000555
91
127
-2
343
1
7
5
0
0
-10
These data are only available for scientific research purposes.