| Metabolite |
yes
|
| Molecule Name (PubChem name-Chemical Name) |
547-3,4-Dihydroxyphenylacetic acid
|
| Smiles |
O=C(O)CC1(=CC(O)=C(O)C=C1)
|
| cLogS |
-1,002
|
| TPSA |
77,76
|
| cLogP |
0,4514
|
| MW |
168,148
|
| H-Acceptors |
4
|
| H-Donors |
3
|
| Druglikeness |
-1,7208
|
| Ro5 violations |
0
|
| DrugScore |
0,337506980787441
|
| Mutagenic |
high
|
| Reproductive Effective |
none
|
| Tumorigenic |
none
|
| Irritant |
none
|
