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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 436 to 450 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000667
93
87
-4
346
3
5
3
0
0
-4
PE000668
91
67
-4
330
3
4
2
0
0
-4
PE000669
93
87
-4
346
3
5
3
0
0
-4
PE000670
94
81
-5
344
3
5
1
0
0
-6
PE000671
47
20
-3
150
3
1
1
0
0
-2
PE000450
141
267
-5
604
1
16
8
3
0
0
PE000451
394
778
-8
1701
6
46
25
4
0
0
PE000454
45
58
-2
164
1
3
2
0
1
0
PE000455
81
145
-2
338
0
8
5
0
1
-1
PE000456
81
145
-2
338
0
8
5
0
1
-1
PE000457
47
78
-1
180
1
4
3
0
0
0
PE000458
84
146
-1
356
-1
9
5
0
0
-4
PE000459
52
67
-2
194
1
4
2
0
1
0
PE000460
70
162
-1
312
-1
9
5
0
1
-2
PE000461
91
145
-2
360
1
8
5
0
0
-4
These data are only available for scientific research purposes.