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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 286 to 300 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000332
105
207
-2
450
0
12
8
2
0
-2
PE000333
174
365
-2
789
-4
22
14
3
0
-4
PE000334
141
286
-2
627
-2
17
11
3
0
-4
PE000335
109
207
-2
464
0
12
8
2
0
-4
PE000336
113
196
-3
478
0
12
7
2
0
-4
PE000337
86
105
-3
330
2
7
3
0
0
0
PE000338
140
266
-2
611
-2
16
10
3
0
-5
PE000339
139
266
-2
611
-2
16
10
3
0
-4
PE000340
142
286
-2
627
-2
17
11
3
0
-4
PE000341
172
345
-2
773
-4
21
13
3
0
-5
PE000342
237
503
-1
1097
-8
31
19
3
0
-5
PE000343
270
436
-5
1141
0
28
14
3
0
-6
PE000344
263
427
-5
1111
0
27
14
3
0
-6
PE000346
226
389
-4
979
-2
25
13
3
0
-6
PE000347
215
391
-3
935
-2
24
14
3
0
-6
These data are only available for scientific research purposes.