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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 376 to 390 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000428
35
58
-1
138
1
3
2
0
0
-2
PE000429
35
58
-1
138
1
3
2
0
0
-2
PE000430
37
78
-1
154
0
4
3
0
0
-2
PE000431
37
78
-1
154
0
4
3
0
0
-2
PE000432
72
166
-1
332
-1
10
6
1
0
-3
PE000433
67
137
-1
300
-1
8
5
0
0
-4
PE000434
69
157
-1
316
-2
9
6
1
0
-4
PE000435
71
177
-1
332
-2
10
7
1
0
-4
PE000436
37
78
-1
154
0
4
3
0
0
-2
PE000437
37
78
-1
154
0
4
3
0
1
-2
PE000438
75
165
-2
322
1
9
6
1
1
-2
PE000439
49
87
-1
198
1
5
3
0
0
-5
PE000440
108
221
-5
470
1
13
7
2
0
-2
PE000441
46
56
-2
182
1
4
1
0
1
-2
PE000442
42
67
-1
168
1
4
2
0
0
-2
These data are only available for scientific research purposes.