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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 841 to 855 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000961
44
58
-2
166
1
3
2
0
1
-3
PE000962
60
110
-1
276
0
7
2
0
1
0
PE000964
78
174
-1
358
-1
10
6
1
1
-2
PE000965
56
121
-1
262
-1
7
3
0
1
-1
PE000966
50
67
-2
196
1
4
2
0
1
-2
PE000967
82
163
-1
372
-1
10
5
0
1
-1
PE000968
57
76
-2
226
1
5
2
0
1
-2
PE000970
63
99
-2
253
0
6
2
0
0
-18
PE000971
47
98
-1
198
0
5
4
0
1
1
PE000972
52
87
-1
212
0
5
3
0
1
0
PE000973
52
87
-1
212
0
5
3
0
1
-3
PE000975
42
37
-2
150
2
2
1
0
1
-3
PE000976
52
87
-1
212
0
5
3
0
1
0
PE000978
44
58
-2
166
1
3
2
0
0
0
PE000979
58
56
-2
222
1
4
1
0
0
-7
These data are only available for scientific research purposes.