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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 826 to 840 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000945
79
174
-1
356
-2
10
6
1
1
1
PE000946
79
174
-1
356
-2
10
6
1
1
1
PE000947
79
174
-1
356
-1
10
6
1
0
-2
PE000948
83
165
-1
354
-1
9
6
1
1
-1
PE000949
136
189
-3
545
1
12
5
2
0
-3
PE000950
131
200
-3
530
1
12
6
3
0
-3
PE000951
131
200
-3
530
1
12
6
3
0
-3
PE000952
39
58
-1
152
1
3
2
0
1
-2
PE000953
39
58
-1
152
1
3
2
0
0
-2
PE000955
50
66
-1
193
0
4
2
0
1
-3
PE000956
37
37
-2
136
1
2
1
0
0
-2
PE000957
41
78
-1
168
0
4
3
0
1
0
PE000958
39
58
-1
152
0
3
2
0
0
0
PE000959
45
78
-1
182
0
4
3
0
1
1
PE000960
52
87
-1
212
0
5
3
0
1
-2
These data are only available for scientific research purposes.