['O=CO', 'c1cnc(Sc2ccncc2)nc1', 'c1cncnc1', 'O=C(O)c1cc(S)ccn1', 'Sc1ncccn1', 'O=C(O)c1ccccn1']
The molecule <smiles>O=C(O)c1cc(Sc2ncccn2)ccn1</smiles> has a molecular weight of <MW> 226.19599999999997</MW>, a tPSA of <tPSA> 75.97</tPSA>, a CLogP of <CLogP> 1.7209999999999999</CLogP>, and contains <HBA> 5</HBA> hydrogen bond acceptors (HBA), <HBD> 1</HBD> hydrogen bond donors (HBD), and <rotateable bonds> 3</rotateable bonds> rotatable bonds.