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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 166 to 180 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000199
106
190
-1
452
0
11
8
2
0
-4
PE000201
71
87
-3
272
2
5
3
0
1
0
PE000202
73
107
-2
288
2
6
4
0
1
0
PE000203
78
96
-3
302
2
6
3
0
1
0
PE000206
136
245
-2
597
-1
15
9
3
1
2
PE000207
141
234
-3
611
-1
15
8
3
1
2
PE000208
134
225
-3
581
-1
14
8
3
1
1
PE000209
134
225
-3
581
-1
14
8
3
1
2
PE000210
136
245
-2
597
-1
15
9
3
0
1
PE000211
141
234
-3
611
-1
15
8
3
0
1
PE000212
139
214
-3
595
0
14
7
3
1
2
PE000213
139
214
-3
595
0
14
7
3
0
1
PE000214
139
214
-3
595
0
14
7
3
1
2
PE000215
166
304
-3
743
-3
19
11
3
0
-2
PE000216
103
166
-3
434
0
10
6
1
0
-4
These data are only available for scientific research purposes.