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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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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000363
117
211
-3
520
0
14
6
3
0
0
PE000364
122
200
-4
534
0
14
5
2
0
0
PE000365
120
222
-3
522
0
14
7
3
0
0
PE000367
134
245
-2
580
-1
15
9
3
0
-2
PE000368
116
192
-3
490
0
12
6
2
1
1
PE000369
167
324
-2
743
-2
20
12
3
0
-4
PE000370
169
304
-3
741
-2
19
11
3
0
2
PE000371
142
286
-2
627
-2
17
11
3
0
-4
PE000372
107
207
-2
466
-1
12
8
2
0
-4
PE000373
118
213
-3
506
0
13
7
3
1
1
PE000374
169
304
-3
741
-2
19
11
3
0
2
PE000375
118
189
-3
447
-2
11
6
2
0
-4
PE000376
138
245
-3
595
-1
15
9
3
0
-2
PE000377
147
251
-3
637
-1
16
8
3
0
3
PE000378
140
266
-3
611
-1
16
10
3
0
-2
These data are only available for scientific research purposes.