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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 751 to 765 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000826
72
78
-3
256
2
4
3
0
0
-4
PE000827
76
76
-3
284
2
5
2
0
0
0
PE000828
71
70
-3
258
3
4
3
0
0
-1
PE000829
72
87
-3
272
2
5
3
0
0
-1
PE000830
69
50
-3
242
3
3
2
0
0
-1
PE000831
72
87
-3
270
2
5
3
0
1
0
PE000832
74
98
-3
274
2
5
4
0
0
0
PE000833
72
87
-3
272
2
5
3
0
0
-1
PE000834
72
87
-3
272
2
5
3
0
0
-1
PE000835
75
59
-3
272
3
4
2
0
0
-1
PE000836
75
59
-3
272
3
4
2
0
0
-1
PE000838
73
39
-3
256
4
3
1
0
0
-1
PE000839
76
127
-2
302
1
7
5
0
1
0
PE000840
74
107
-2
286
1
6
4
0
0
0
PE000841
76
127
-2
302
1
7
5
0
0
0
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