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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 706 to 720 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000752
152
241
-4
610
-1
15
9
3
0
-3
PE000753
147
241
-3
596
-1
15
9
3
0
-10
PE000754
115
162
-4
433
0
10
6
1
0
-6
PE000757
229
387
-4
950
-2
24
14
3
0
-11
PE000758
154
262
-3
626
-1
16
10
3
0
-3
PE000762
106
194
-2
450
0
11
7
2
0
-1
PE000766
78
99
-2
304
2
6
4
0
1
0
PE000767
110
196
-2
480
-1
12
7
2
1
0
PE000768
106
207
-2
466
-1
12
8
2
1
0
PE000770
78
99
-2
304
2
6
4
0
1
0
PE000772
121
175
-3
486
3
11
6
2
1
0
PE000773
80
120
-2
320
1
7
5
0
1
0
PE000774
116
186
-2
472
2
11
7
2
1
0
PE000775
78
99
-2
304
2
6
4
0
1
0
PE000776
176
373
-2
797
-2
22
14
3
0
-4
These data are only available for scientific research purposes.