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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 481 to 495 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000493
70
162
-1
312
-1
9
5
0
1
-2
PE000494
72
141
-2
310
0
8
4
0
1
-1
PE000495
68
141
-1
296
-1
8
4
0
1
-2
PE000496
47
78
-1
180
1
4
3
0
1
0
PE000497
47
78
-1
180
1
4
3
0
1
0
PE000498
45
58
-2
164
1
3
2
0
1
0
PE000499
52
67
-2
194
1
4
2
0
1
0
PE000500
45
58
-2
164
1
3
2
0
1
0
PE000501
52
67
-2
194
1
4
2
0
1
0
PE000502
56
56
-2
208
1
4
1
0
1
0
PE000503
49
98
-1
196
0
5
4
0
1
0
PE000506
113
208
-2
474
0
12
6
2
0
-3
PE000507
102
134
-4
386
2
8
4
0
1
0
PE000508
101
134
-3
386
2
8
4
0
0
2
PE000509
177
279
-3
755
-1
19
8
3
0
-7
These data are only available for scientific research purposes.