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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 676 to 690 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000715
91
75
-4
308
3
4
2
0
0
-5
PE000716
89
59
-4
307
4
4
2
0
0
-9
PE000717
57
49
-4
216
2
4
0
0
0
-3
PE000718
50
39
-4
186
2
3
0
0
0
-4
PE000719
57
49
-4
216
2
4
0
0
0
-3
PE000720
63
58
-4
246
2
5
0
0
0
-3
PE000721
50
39
-4
186
2
3
0
0
0
-4
PE000722
48
56
-2
182
1
4
1
0
0
-4
PE000723
37
58
-1
138
1
3
2
0
0
-4
PE000724
41
47
-2
152
1
3
1
0
0
-4
PE000725
35
37
-2
122
1
2
1
0
0
-4
PE000726
39
78
-1
154
1
4
3
0
0
-4
PE000727
39
26
-2
136
2
2
0
0
0
-4
PE000728
46
47
-2
166
2
3
1
0
0
-6
PE000729
43
26
-2
150
1
2
0
0
1
-2
These data are only available for scientific research purposes.