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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 556 to 570 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000571
83
165
-1
354
-1
9
6
1
1
-1
PE000572
41
78
-1
168
0
4
3
0
0
-2
PE000573
39
58
-1
152
1
3
2
0
1
-2
PE000574
46
67
-1
182
1
4
2
0
1
-1
PE000575
50
56
-2
196
1
4
1
0
0
-1
PE000576
43
47
-1
166
1
3
1
0
1
-1
PE000577
45
78
-1
182
0
4
3
0
1
-1
PE000578
44
58
-2
166
1
3
2
0
1
-3
PE000579
46
78
-1
182
1
4
3
0
1
-3
PE000580
67
61
-3
228
3
3
3
0
0
-2
PE000581
100
140
-3
390
1
8
6
1
0
-4
PE000582
69
81
-3
244
2
4
4
0
0
-2
PE000583
67
61
-3
228
3
3
3
0
0
-2
PE000584
130
110
-5
454
5
6
5
0
0
0
PE000585
76
39
-3
256
3
3
1
0
0
-1
These data are only available for scientific research purposes.