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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 871 to 885 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE001000
77
104
-2
308
1
6
3
0
0
-4
PE001002
87
147
-2
388
0
9
3
0
0
-6
PE001003
87
147
-2
388
0
9
3
0
0
-4
PE001004
99
157
-3
404
0
9
6
1
0
-1
PE001005
77
104
-2
308
1
6
3
0
0
-4
PE001006
99
157
-3
404
0
9
6
1
0
-1
PE001007
77
104
-2
308
1
6
3
0
0
-3
PE001008
66
61
-2
230
3
3
3
0
0
-3
PE001009
86
81
-3
302
3
4
4
0
0
-4
PE001010
83
67
-3
298
3
4
2
0
1
0
PE001011
181
313
-3
831
-3
22
10
3
0
-6
PE001012
118
76
-5
433
4
7
1
0
1
3
PE001013
135
122
-6
531
4
10
2
1
0
4
PE001014
111
76
-5
416
4
7
1
0
0
3
PE001015
138
93
-5
501
4
8
1
1
0
0
These data are only available for scientific research purposes.