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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 646 to 660 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000937
62
110
-1
274
-1
7
2
0
1
2
PE000938
62
110
-1
274
-1
7
2
0
1
2
PE000939
84
163
-2
370
-1
10
5
0
1
1
PE000940
57
121
-1
260
-1
7
3
0
1
1
PE000941
57
121
-1
260
-1
7
3
0
1
1
PE000943
84
163
-1
370
-1
10
5
0
0
-2
PE000685
74
140
-1
316
-1
8
6
1
0
-5
PE000686
83
81
-3
304
2
5
1
0
0
-5
PE000688
96
123
-2
378
2
8
3
0
0
-4
PE000689
94
102
-2
362
2
7
2
0
0
-4
PE000691
127
40
-7
405
10
2
2
1
0
-20
PE000692
109
40
-6
349
9
2
2
1
0
-20
PE000694
118
40
-6
377
9
2
2
1
0
-20
PE000695
147
40
-8
459
12
2
2
1
0
-24
PE000696
145
40
-8
461
12
2
2
1
0
-20
These data are only available for scientific research purposes.
