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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 226 to 240 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000268
79
96
-3
300
2
6
3
0
1
0
PE000269
84
85
-3
314
3
6
2
0
1
0
PE000270
107
186
-2
448
0
11
7
2
0
-3
PE000271
97
104
-3
374
2
8
2
0
0
0
PE000272
90
94
-3
344
2
7
2
0
0
0
PE000273
95
83
-4
358
3
7
1
0
0
0
PE000274
81
116
-3
316
2
7
4
0
0
0
PE000275
86
105
-3
330
2
7
3
0
0
0
PE000276
90
94
-3
344
2
7
2
0
0
0
PE000277
90
94
-3
344
2
7
2
0
0
0
PE000278
77
127
-2
302
2
7
5
0
0
0
PE000279
107
186
-3
448
1
11
7
2
0
2
PE000280
75
107
-3
286
2
6
4
0
1
0
PE000281
147
268
-3
651
-1
17
8
3
0
-11
PE000282
79
96
-3
300
2
6
3
0
1
0
These data are only available for scientific research purposes.
