Q: How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
Constraint: The Molecule has the SMILES COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1.
Answer: 0
{#Question|Q!}: {quest#}
{#Constraint:|Description:|!} The {#Molecule|Compound|Chemical!} {#has the|can be represented with the!} {SMILES__description} {SMILES#}.
{#Answer|Result|Answer!}: {answ#}
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
0