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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 421 to 435 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000652
48
54
-3
174
1
3
1
0
0
0
PE000653
46
34
-3
158
1
2
0
0
0
0
PE000654
30
40
-1
110
1
2
2
0
0
-2
PE000655
32
61
-1
126
1
3
3
0
0
-2
PE000656
64
140
-1
288
-1
8
6
1
0
-5
PE000657
28
20
-1
94
1
1
1
0
0
-2
PE000658
32
61
-1
126
1
3
3
0
0
-2
PE000659
62
120
-1
272
-1
7
5
0
0
-5
PE000660
30
40
-1
110
1
2
2
0
0
-2
PE000661
43
81
0
170
0
4
4
0
1
-2
PE000662
81
112
-4
296
2
6
6
1
1
0
PE000663
30
40
-1
110
1
2
2
0
0
-2
PE000664
70
50
-3
242
2
3
2
0
0
-6
PE000665
78
79
-3
288
2
5
3
0
0
-6
PE000666
93
78
-4
332
4
4
3
0
0
-5
These data are only available for scientific research purposes.