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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 661 to 675 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000697
99
40
-5
321
8
2
2
1
0
-20
PE000698
137
40
-7
431
11
2
2
1
0
-24
PE000699
136
40
-7
433
11
2
2
1
0
-20
PE000703
35
40
-1
124
1
2
2
0
0
-2
PE000704
35
40
-1
124
1
2
2
0
0
-2
PE000705
40
40
-2
138
2
2
2
0
1
-2
PE000706
38
20
-2
120
2
1
1
0
0
-5
PE000707
38
20
-2
122
2
1
1
0
1
-2
PE000708
128
247
-2
550
-3
15
8
3
0
-3
PE000709
150
249
-2
550
-8
15
8
3
0
-3
PE000710
118
170
-2
388
-6
10
5
0
1
1
PE000711
118
170
-2
388
-6
10
5
0
1
1
PE000712
90
59
-3
305
4
4
2
0
0
-10
PE000713
104
93
-4
368
3
6
2
0
0
-5
PE000714
97
84
-4
338
3
5
2
0
0
-5
These data are only available for scientific research purposes.