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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 271 to 285 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000317
73
87
-3
270
2
5
3
0
0
0
PE000318
81
116
-3
316
2
7
4
0
0
0
PE000319
107
186
-2
448
0
11
7
2
0
-4
PE000320
138
245
-3
595
-1
15
9
3
0
1
PE000321
171
324
-2
757
-3
20
12
3
0
-2
PE000322
171
324
-2
757
-3
20
12
3
0
-2
PE000323
173
345
-2
773
-3
21
13
3
0
-2
PE000324
173
345
-2
773
-3
21
13
3
0
-2
PE000325
81
116
-3
316
2
7
4
0
0
0
PE000326
114
196
-3
478
0
12
7
2
0
-3
PE000327
110
207
-2
464
0
12
8
2
1
2
PE000328
140
266
-2
611
-1
16
10
3
0
1
PE000329
101
166
-3
418
1
10
6
1
0
-2
PE000330
109
224
-2
478
-1
13
8
2
0
0
PE000331
114
213
-2
492
0
13
7
2
0
0
These data are only available for scientific research purposes.