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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 511 to 525 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000525
127
211
-3
516
1
12
7
3
0
-3
PE000526
127
211
-3
516
1
12
7
3
0
-3
PE000527
127
211
-3
516
1
12
7
3
0
-1
PE000528
127
211
-3
516
1
12
7
3
0
-3
PE000529
108
196
-1
472
-2
12
7
2
0
-4
PE000530
81
87
-3
283
2
5
3
0
0
0
PE000531
87
96
-3
313
2
6
3
0
0
0
PE000532
83
107
-3
299
2
6
4
0
1
0
PE000533
85
127
-3
315
2
7
5
0
1
0
PE000534
89
116
-3
329
2
7
4
0
0
0
PE000535
83
107
-3
299
2
6
4
0
0
0
PE000536
94
105
-3
343
2
7
3
0
0
0
PE000537
95
125
-3
359
2
8
4
0
0
0
PE000538
90
155
-1
386
-1
10
5
0
0
-6
PE000539
66
121
-2
280
0
7
3
0
0
-3
These data are only available for scientific research purposes.