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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 406 to 420 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000637
48
47
-2
178
1
3
1
0
0
-2
PE000638
50
56
-2
192
1
4
1
0
0
-3
PE000639
46
67
-2
178
1
4
2
0
0
-3
PE000640
78
146
-2
340
-1
9
5
0
0
-6
PE000641
44
47
-2
162
1
3
1
0
0
-3
PE000642
53
47
-4
162
2
3
1
0
1
0
PE000643
46
50
-1
168
1
3
2
0
0
-4
PE000644
50
29
-2
164
2
2
1
0
0
-4
PE000645
48
9
-3
148
3
1
0
0
0
-4
PE000646
49
29
-2
164
2
2
1
0
0
-5
PE000647
58
36
-3
206
3
3
0
0
0
-4
PE000648
84
67
-3
300
3
4
2
0
0
-8
PE000649
47
9
-2
148
3
1
0
0
0
-5
PE000650
34
29
-1
124
1
2
1
0
0
-2
PE000651
37
35
-2
123
1
2
1
0
0
-2
These data are only available for scientific research purposes.