['C[C@@H](NC=O)c1nnc2ccccn12', 'Cc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1', 'C[C@@H](N)c1nnc2ccccn12', 'Cc1ccc(C)c(S(=O)(=O)N2CCN(C=O)CC2)c1', 'CCc1nnc2ccccn12', 'Cc1ccc(C)c(S(=O)(=O)N2CCN(C(N)=O)CC2)c1', 'Cc1ccc(C)c([SH](=O)=O)c1', 'C[C@@H](NC(=O)N1CCNCC1)c1nnc2ccccn12', 'c1ccn2cnnc2c1', 'CCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1']
The molecule <smiles>Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3nnc4ccccn34)CC2)c1</smiles> has a molecular weight of <MW> 416.3370000000002</MW>, a tPSA of <tPSA> 99.91</tPSA>, a CLogP of <CLogP> 2.12324</CLogP>, and contains <HBA> 6</HBA> hydrogen bond acceptors (HBA), <HBD> 1</HBD> hydrogen bond donors (HBD), and <rotateable bonds> 4</rotateable bonds> rotatable bonds.