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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 451 to 465 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000462
45
58
-2
164
1
3
2
0
1
0
PE000463
45
58
-2
164
1
3
2
0
1
0
PE000464
58
76
-2
224
1
5
2
0
1
0
PE000465
77
137
-1
326
-1
8
5
0
0
-6
PE000466
81
145
-2
338
0
8
5
0
1
-1
PE000467
83
165
-1
354
-1
9
6
1
1
-1
PE000468
148
245
-2
625
0
15
9
3
0
-1
PE000469
83
165
-1
354
-1
9
6
1
1
-1
PE000470
68
141
-1
296
-1
8
4
0
1
-2
PE000471
205
479
-2
923
-11
27
15
3
0
-20
PE000472
74
151
-1
326
-1
9
4
0
1
-1
PE000473
57
67
-2
208
2
4
2
0
0
-8
PE000474
75
116
-2
310
0
7
4
0
0
-4
PE000475
83
165
-1
354
-1
9
6
1
1
-1
PE000476
81
145
-2
338
0
8
5
0
1
-1
These data are only available for scientific research purposes.