['C1CC1', 'Cn1ncc2c(-c3nnc(Br)s3)cc(C3CC3)nc21', 'Cn1nc(C2CC2)c2c(-c3nnc(Br)s3)ccnc21', 'Brc1nncs1', 'Cn1nc(C2CC2)c2ccc(C3CC3)nc21']
The molecule <smiles>Cn1nc(C2CC2)c2c(-c3nnc(Br)s3)cc(C3CC3)nc21</smiles> has a molecular weight of <MW> 362.1710000000001</MW>, a tPSA of <tPSA> 56.49</tPSA>, a CLogP of <CLogP> 4.004100000000002</CLogP>, and contains <HBA> 6</HBA> hydrogen bond acceptors (HBA), <HBD> 0</HBD> hydrogen bond donors (HBD), and <rotateable bonds> 3</rotateable bonds> rotatable bonds.