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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 301 to 315 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000348
220
380
-4
949
-2
24
13
3
0
-6
PE000349
125
250
-2
550
-1
15
8
3
0
-7
PE000350
123
230
-3
534
0
14
7
3
0
-7
PE000351
116
169
-3
431
-1
10
5
0
1
2
PE000352
157
329
-2
713
-3
20
11
3
0
-11
PE000353
83
137
-3
332
1
8
5
0
0
0
PE000354
79
148
-2
318
1
8
6
1
0
0
PE000355
88
126
-3
346
2
8
4
0
0
0
PE000356
175
354
-1
789
-4
22
13
3
0
-4
PE000357
179
343
-2
803
-3
22
12
3
0
-4
PE000358
223
389
-3
965
-2
25
13
3
0
-2
PE000359
221
369
-3
949
-1
24
12
3
0
-2
PE000360
227
378
-3
979
-1
25
12
3
0
-2
PE000361
153
284
-2
671
-2
18
10
3
0
-3
PE000362
125
211
-3
536
0
14
6
3
0
0
These data are only available for scientific research purposes.