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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 31 to 45 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000034
121
182
-3
463
0
11
7
2
0
-9
PE000035
117
182
-3
449
0
11
7
2
0
-9
PE000036
127
192
-3
493
0
12
7
2
0
-9
PE000037
121
171
-4
463
0
11
6
2
0
-9
PE000038
119
179
-4
461
1
11
6
2
0
-7
PE000039
127
220
-3
507
0
13
8
3
0
-4
PE000040
132
209
-4
521
0
13
7
3
0
-3
PE000041
130
189
-4
505
0
12
6
3
0
-3
PE000042
125
200
-4
491
0
12
7
2
0
-4
PE000043
136
198
-4
535
0
13
6
3
0
-3
PE000044
132
209
-4
521
0
13
7
3
0
-3
PE000046
136
198
-4
535
0
13
6
3
0
-3
PE000047
130
189
-4
505
0
12
6
3
0
-3
PE000048
108
153
-4
403
1
9
6
1
0
-7
PE000049
149
273
-3
612
-2
16
11
3
0
-3
These data are only available for scientific research purposes.