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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 721 to 735 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000777
223
395
-5
915
4
22
16
3
0
0
PE000780
108
227
-1
482
-1
13
9
2
1
0
PE000784
110
196
-2
480
-1
12
7
2
1
0
PE000785
106
207
-2
466
-1
12
8
2
1
0
PE000786
108
227
-1
482
-1
13
9
2
1
0
PE000787
108
227
-1
482
-1
13
9
2
1
0
PE000788
112
216
-2
496
-1
13
8
2
1
0
PE000789
112
216
-2
496
-1
13
8
2
1
0
PE000791
110
192
-3
478
0
12
6
2
1
0
PE000792
110
192
-3
478
0
12
6
2
1
0
PE000793
88
140
-2
382
0
9
3
0
1
2
PE000795
78
96
-3
302
2
6
3
0
1
0
PE000796
103
183
-3
448
0
11
6
2
1
0
PE000797
103
183
-3
448
0
11
6
2
0
0
PE000798
103
183
-3
448
0
11
6
2
1
0
These data are only available for scientific research purposes.
