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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 136 to 150 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000149
144
218
-4
564
2
12
9
3
1
1
PE000150
147
221
-3
579
2
12
10
3
0
0
PE000151
147
221
-3
579
2
12
10
3
0
0
PE000152
147
221
-3
579
2
12
10
3
0
0
PE000153
147
221
-3
579
2
12
10
3
0
0
PE000154
147
221
-3
579
2
12
10
3
0
0
PE000155
147
221
-3
579
2
12
10
3
0
0
PE000156
150
261
-2
611
2
14
12
3
0
0
PE000157
219
331
-4
867
3
18
15
3
0
0
PE000161
219
331
-4
867
3
18
15
3
0
0
PE000167
147
221
-3
579
2
12
10
3
0
0
PE000168
219
331
-4
867
3
18
15
3
0
0
PE000169
219
331
-4
867
3
18
15
3
0
0
PE000170
182
288
-4
731
3
16
12
3
0
0
PE000171
182
288
-4
731
3
16
12
3
0
0
These data are only available for scientific research purposes.