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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
PE000003
169
218
-5
640
2
14
7
3
0
-6
PE000005
127
220
-3
507
0
13
8
3
0
-4
PE000006
125
200
-4
491
0
12
7
2
0
-4
PE000007
95
113
-4
331
2
7
4
0
0
-6
PE000008
116
193
-3
449
0
11
8
2
0
-9
PE000009
116
193
-3
449
0
11
8
2
0
-9
PE000010
147
252
-3
596
-1
15
10
3
0
-3
PE000011
149
273
-3
612
-2
16
11
3
0
-10
PE000012
114
173
-3
433
0
10
7
1
0
-9
PE000013
132
237
-3
535
-1
14
8
3
0
-12
PE000014
89
103
-4
301
2
6
4
0
0
-6
PE000015
121
182
-3
463
0
11
7
2
0
-9
PE000016
152
241
-4
610
-1
15
9
3
0
-3
PE000017
145
232
-4
580
-1
14
9
3
0
-3
PE000018
82
94
-4
271
2
5
4
0
0
-6
These data are only available for scientific research purposes.