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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 691 to 705 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000730
53
87
-1
212
0
5
3
0
1
0
PE000735
181
352
-3
774
-4
21
14
3
0
-9
PE000736
185
341
-3
788
-4
21
13
3
0
-8
PE000737
153
262
-3
626
-2
16
10
3
0
-9
PE000738
229
387
-4
950
-2
24
14
3
0
-11
PE000739
153
262
-3
626
-2
16
10
3
0
-10
PE000740
147
241
-3
596
-1
15
9
3
0
-10
PE000741
179
321
-3
758
-3
20
12
3
0
-12
PE000742
115
162
-4
433
0
10
6
1
0
-6
PE000743
121
182
-3
463
0
11
7
2
0
-9
PE000745
147
280
-3
621
-1
17
8
3
0
-12
PE000748
123
203
-3
479
0
12
8
2
0
-9
PE000749
115
162
-4
433
0
10
6
1
0
-6
PE000750
121
182
-3
463
0
11
7
2
0
-9
PE000751
121
182
-3
463
0
11
7
2
0
-9
These data are only available for scientific research purposes.