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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 361 to 375 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000411
103
213
-3
464
-1
13
7
2
0
-4
PE000412
37
78
-1
154
0
4
3
0
0
-2
PE000413
39
98
-1
170
0
5
4
0
0
-2
PE000414
42
67
-1
168
1
4
2
0
0
-2
PE000416
37
78
-1
154
0
4
3
0
0
-2
PE000417
71
134
-3
302
1
8
4
0
1
-2
PE000418
35
58
-1
138
1
3
2
0
0
-2
PE000419
46
56
-2
182
1
4
1
0
0
-2
PE000420
48
76
-1
198
1
5
2
0
0
-2
PE000421
75
185
-1
344
-1
10
7
1
1
1
PE000422
97
192
-3
434
0
12
6
2
0
-5
PE000423
106
199
-4
476
0
13
5
1
1
0
PE000424
106
199
-4
476
0
13
5
1
1
0
PE000425
40
47
-2
152
1
3
1
0
1
-2
PE000427
33
37
-2
122
1
2
1
0
0
-2
These data are only available for scientific research purposes.