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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 76 to 90 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000081
180
359
-3
784
-3
22
11
3
0
-12
PE000082
126
217
-3
505
0
13
7
3
0
-16
PE000083
151
293
-3
628
-3
17
12
3
0
-9
PE000084
164
316
-3
698
-3
19
11
3
0
-16
PE000085
175
332
-3
744
-4
20
13
3
0
-14
PE000086
219
378
-4
906
-2
23
14
3
0
-11
PE000087
143
252
-3
582
-2
15
10
3
0
-10
PE000088
207
358
-4
864
-2
22
13
3
0
-9
PE000089
230
376
-4
950
-2
24
13
3
0
-10
PE000090
223
367
-4
920
-2
23
13
3
0
-10
PE000091
217
358
-4
890
-2
22
13
3
0
-11
PE000092
140
253
-2
549
-4
15
7
3
0
-6
PE000093
158
251
-4
640
-1
16
9
3
0
-3
PE000094
114
173
-3
433
0
10
7
1
0
-9
PE000095
166
249
-5
642
1
15
9
3
0
-6
These data are only available for scientific research purposes.