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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 61 to 75 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000065
163
201
-6
610
2
13
7
3
0
-8
PE000066
184
244
-6
708
2
16
7
3
0
-6
PE000068
158
220
-5
596
2
13
8
3
0
-6
PE000069
175
332
-3
744
-4
20
13
3
0
-14
PE000070
160
240
-4
612
1
14
9
3
0
-6
PE000071
148
273
-3
612
-2
16
11
3
0
-9
PE000072
165
221
-5
626
2
14
8
3
0
-8
PE000073
150
293
-3
628
-3
17
12
3
0
-9
PE000074
146
252
-3
596
-2
15
10
3
0
-9
PE000075
171
238
-5
656
1
15
8
3
0
-6
PE000076
149
283
-3
592
-4
17
7
3
0
-27
PE000077
149
273
-3
612
-2
16
11
3
0
-9
PE000078
132
237
-3
535
-1
14
8
3
0
-12
PE000079
136
226
-4
549
0
14
7
3
0
-12
PE000080
164
316
-3
698
-3
19
11
3
0
-16
These data are only available for scientific research purposes.