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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 496 to 510 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000510
171
270
-3
725
-1
18
8
3
0
-7
PE000511
164
261
-3
695
-1
17
8
3
0
-7
PE000512
232
324
-5
961
1
23
8
3
0
-3
PE000513
225
315
-5
931
1
22
8
3
0
-3
PE000514
219
305
-4
901
1
21
8
3
0
-3
PE000515
212
296
-4
871
1
20
8
3
0
-3
PE000516
101
123
-4
386
3
8
3
0
1
0
PE000517
101
134
-3
386
2
8
4
0
1
1
PE000518
98
123
-3
386
2
8
3
0
1
1
PE000519
83
165
-1
354
-1
9
6
1
1
-1
PE000520
127
211
-3
516
1
12
7
3
0
-1
PE000521
83
165
-1
354
-1
9
6
1
1
-1
PE000522
136
189
-3
545
1
12
5
2
0
-1
PE000523
136
189
-3
545
1
12
5
2
0
-1
PE000524
83
165
-1
354
-1
9
6
1
0
-3
These data are only available for scientific research purposes.