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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 811 to 825 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000895
72
87
-3
270
2
5
3
0
0
0
PE000900
74
107
-2
288
2
6
4
0
0
-1
PE000901
75
59
-3
272
3
4
2
0
0
-1
PE000902
75
59
-3
272
3
4
2
0
0
-1
PE000903
74
107
-2
286
1
6
4
0
1
0
PE000904
72
87
-3
272
2
5
3
0
0
-1
PE000905
72
87
-3
272
2
5
3
0
0
-1
PE000906
71
70
-3
258
3
4
3
0
0
-1
PE000907
70
70
-2
258
3
4
3
0
0
-1
PE000908
77
96
-3
302
2
6
3
0
0
1
PE000909
75
85
-4
298
2
6
2
0
0
0
PE000910
76
76
-3
286
3
5
2
0
0
0
PE000911
81
65
-3
300
3
5
1
0
0
0
PE000912
71
87
-3
272
2
5
3
0
1
0
PE000944
84
163
-1
370
-1
10
5
0
0
-2
These data are only available for scientific research purposes.