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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 781 to 795 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000861
70
67
-3
256
3
4
2
0
0
-1
PE000862
102
163
-3
432
0
10
5
0
0
-1
PE000863
74
56
-3
270
3
4
1
0
0
0
PE000864
72
87
-3
272
2
5
3
0
0
-1
PE000865
76
76
-3
286
3
5
2
0
0
0
PE000866
69
50
-3
242
3
3
2
0
0
-1
PE000867
106
152
-3
444
0
10
4
0
0
0
PE000869
136
279
-2
622
-3
17
9
3
0
0
PE000871
104
183
-3
446
-1
11
6
2
0
0
PE000873
104
183
-3
446
-1
11
6
2
0
0
PE000874
104
183
-3
446
-1
11
6
2
0
0
PE000876
108
172
-3
460
0
11
5
1
0
0
PE000877
108
172
-3
460
0
11
5
1
0
0
PE000878
78
96
-3
300
2
6
3
0
1
0
PE000879
72
78
-3
258
2
4
3
0
0
0
These data are only available for scientific research purposes.