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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 571 to 585 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000586
130
110
-5
454
5
6
5
0
0
0
PE000587
100
140
-3
390
1
8
6
1
0
-4
PE000588
128
121
-5
454
4
6
6
1
0
-1
PE000589
102
160
-2
406
0
9
7
1
0
-4
PE000590
65
40
-3
212
3
2
2
0
0
-2
PE000591
100
140
-3
390
1
8
6
1
0
-4
PE000592
67
61
-3
228
3
3
3
0
0
-2
PE000593
100
140
-3
390
1
8
6
1
0
-4
PE000594
99
99
-3
365
3
6
4
0
0
-4
PE000595
96
85
-3
358
3
6
2
0
1
0
PE000596
97
88
-2
360
2
6
3
0
1
0
PE000597
95
77
-2
358
2
6
2
0
1
-1
PE000598
108
96
-2
418
2
8
2
0
1
-1
PE000599
98
99
-3
360
2
6
4
0
0
-4
PE000600
100
74
-3
372
3
6
1
0
1
0
These data are only available for scientific research purposes.