Q: How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
Constraint: The Compound can be represented with the SMILES COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C.
Answer: 1
{#Question|Q!}: {quest#}
{#Constraint:|Description:|!} The {#Molecule|Compound|Chemical!} {#has the|can be represented with the!} {SMILES__description} {SMILES#}.
{#Answer|Result|Answer!}: {answ#}
COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C
COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C
2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?