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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 181 to 195 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000217
150
268
-3
667
-1
17
8
3
0
-7
PE000218
76
76
-3
286
2
5
2
0
1
0
PE000219
103
166
-3
434
0
10
6
1
0
-4
PE000220
69
67
-3
256
3
4
2
0
1
0
PE000221
96
87
-4
340
4
5
3
0
1
0
PE000222
96
87
-4
340
4
5
3
0
1
0
PE000223
119
87
-5
408
6
5
3
1
0
-2
PE000224
100
76
-4
354
4
5
2
0
0
0
PE000225
105
186
-2
450
0
11
7
2
0
-4
PE000226
76
76
-3
286
2
5
2
0
1
0
PE000228
73
87
-3
270
2
5
3
0
0
0
PE000229
75
107
-3
286
2
6
4
0
1
0
PE000232
142
234
-3
609
-1
15
8
3
1
2
PE000233
136
225
-3
579
-1
14
8
3
1
2
PE000234
142
234
-3
609
-1
15
8
3
1
1
These data are only available for scientific research purposes.