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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 631 to 645 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000919
84
56
-3
268
3
4
1
0
0
-3
PE000920
87
74
-3
330
3
6
1
0
0
0
PE000921
72
87
-3
272
2
5
3
0
0
-1
PE000922
44
87
-1
184
0
5
3
0
1
-2
PE000923
44
87
-1
184
0
5
3
0
0
-2
PE000924
48
76
-1
198
1
5
2
0
0
-2
PE000925
176
377
-6
783
0
22
13
3
0
-1
PE000926
48
87
-1
195
0
5
3
0
1
-4
PE000927
48
87
-1
195
0
5
3
0
1
-4
PE000928
97
56
-3
412
6
5
0
1
0
-70
PE000929
46
66
-1
179
0
4
2
0
0
-4
PE000930
109
164
-2
480
-1
11
5
1
0
-2
PE000931
95
134
-3
374
2
8
4
0
0
-4
PE000935
75
99
-1
250
-2
6
2
0
1
-2
PE000936
84
163
-2
370
-1
10
5
0
1
1
These data are only available for scientific research purposes.