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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 121 to 135 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000134
182
284
-4
717
2
16
11
3
0
2
PE000135
180
284
-5
717
3
16
11
3
0
1
PE000136
218
351
-5
869
3
20
13
3
0
2
PE000137
112
197
-2
458
2
11
8
2
1
0
PE000138
74
110
-2
290
2
6
5
0
1
0
PE000139
110
177
-2
442
2
10
7
1
1
0
PE000140
107
185
-3
428
1
10
7
1
1
2
PE000141
107
185
-3
428
1
10
7
1
1
2
PE000142
143
252
-3
580
2
14
9
3
1
1
PE000143
180
284
-5
717
3
16
11
3
0
1
PE000144
112
197
-2
458
2
11
8
2
1
0
PE000145
112
197
-2
458
2
11
8
2
1
0
PE000146
110
177
-2
442
2
10
7
1
1
0
PE000147
74
110
-2
290
2
6
5
0
1
0
PE000148
107
201
-1
452
-1
11
9
2
0
-3
These data are only available for scientific research purposes.
