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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 616 to 630 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000676
49
47
-2
180
2
3
1
0
0
-2
PE000677
128
202
-2
541
0
13
6
3
0
-7
PE000678
123
213
-2
526
-1
13
7
3
0
-5
PE000679
96
123
-2
378
2
8
3
0
0
-4
PE000680
126
181
-2
525
0
12
5
2
0
-7
PE000681
85
101
-2
320
2
6
2
0
0
-5
PE000682
74
140
-1
316
-1
8
6
1
0
-6
PE000683
95
161
-1
418
-1
11
4
1
0
-9
PE000684
90
172
-1
404
-2
11
5
1
0
-6
PE000913
88
96
-3
300
2
6
3
0
0
-3
PE000914
69
67
-3
256
3
4
2
0
1
0
PE000915
86
76
-3
284
2
5
2
0
0
-3
PE000916
86
76
-3
284
2
5
2
0
0
-3
PE000917
83
85
-3
316
3
6
2
0
0
0
PE000918
73
78
-3
256
2
4
3
0
0
0
These data are only available for scientific research purposes.