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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 796 to 810 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000880
74
107
-2
286
1
6
4
0
1
0
PE000881
76
76
-3
284
2
5
2
0
0
0
PE000882
73
65
-4
282
2
5
1
0
1
0
PE000883
103
157
-2
416
0
9
6
1
0
-2
PE000884
134
242
-3
593
-2
15
8
3
0
-4
PE000885
115
181
-3
490
-1
12
5
1
0
0
PE000886
88
140
-2
380
0
9
3
0
0
1
PE000887
88
140
-2
380
0
9
3
0
1
1
PE000888
83
85
-3
314
2
6
2
0
1
0
PE000889
78
96
-3
300
2
6
3
0
0
0
PE000890
110
175
-3
462
0
11
6
2
0
-3
PE000891
85
105
-3
330
1
7
3
0
0
0
PE000892
78
96
-3
300
2
6
3
0
0
0
PE000893
101
146
-3
418
1
9
5
0
0
0
PE000894
101
146
-3
418
1
9
5
0
0
0
These data are only available for scientific research purposes.