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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 856 to 870 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000981
57
98
-1
226
1
5
4
0
1
-2
PE000982
55
78
-2
210
2
4
3
0
0
-11
PE000983
53
67
-2
208
1
4
2
0
0
-7
PE000984
55
87
-2
224
1
5
3
0
0
-7
PE000985
53
67
-2
208
1
4
2
0
0
-7
PE000987
53
58
-2
194
2
3
2
0
0
-11
PE000988
85
163
-2
384
-1
10
5
0
0
-6
PE000989
154
83
-9
477
9
6
1
1
0
-22
PE000990
85
79
-3
302
2
5
3
0
0
-2
PE000993
83
48
-4
286
3
4
1
0
0
-1
PE000994
83
48
-4
286
3
4
1
0
0
-1
PE000995
99
157
-3
404
0
9
6
1
0
-1
PE000996
77
104
-2
308
1
6
3
0
0
-4
PE000997
99
157
-3
404
0
9
6
1
0
-1
PE000998
77
104
-2
308
1
6
3
0
0
-3
These data are only available for scientific research purposes.