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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 151 to 165 of 931
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Molecule Name
Refractivity
TPSA
LogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
DrugScore
Druglikeness
PE000172
182
288
-4
731
3
16
12
3
0
0
PE000174
219
331
-4
867
3
18
15
3
0
0
PE000176
144
210
-3
577
3
12
9
3
0
1
PE000184
171
269
-3
709
1
16
11
3
0
-4
PE000185
249
399
-4
1027
2
23
17
3
0
-4
PE000186
171
269
-3
709
1
16
11
3
0
-4
PE000187
243
379
-4
997
2
22
16
3
0
-4
PE000188
144
210
-3
577
3
12
9
3
0
1
PE000189
289
431
-6
1153
4
24
19
3
0
1
PE000193
144
210
-3
577
3
12
9
3
0
1
PE000194
144
210
-3
577
3
12
9
3
0
1
PE000195
173
248
-3
707
2
15
10
3
0
-5
PE000196
292
442
-6
1155
4
24
20
3
0
0
PE000197
152
221
-4
593
3
12
10
3
0
0
PE000198
364
552
-7
1443
5
30
25
3
0
0
These data are only available for scientific research purposes.