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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 331 to 345 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000379
149
272
-3
653
-1
17
9
3
0
3
PE000380
169
304
-3
741
-2
19
11
3
0
1
PE000381
175
331
-4
785
-2
21
11
3
0
1
PE000382
79
148
-2
318
1
8
6
1
0
0
PE000383
114
196
-3
478
0
12
7
2
0
-3
PE000384
171
324
-3
757
-2
20
12
3
0
-1
PE000385
169
304
-3
741
-2
19
11
3
0
1
PE000386
78
76
-3
284
3
5
2
0
1
0
PE000387
172
345
-2
773
-4
21
13
3
0
-4
PE000388
85
115
-4
344
2
8
3
0
0
0
PE000389
90
104
-4
358
3
8
2
0
0
0
PE000390
93
115
-3
360
2
8
3
0
0
0
PE000391
108
102
-4
418
2
9
1
0
0
0
PE000392
112
91
-4
432
3
9
0
0
0
0
PE000393
106
82
-4
402
3
8
0
0
0
0
These data are only available for scientific research purposes.