The molecule with the SMILES representation of Nc1cc2c(N)nncc2c(N)c1N has a cavity formation energy at the PBE level of theory of 4.634 kT.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {cavityEnergy__names__noun} of {cavityEnergy#} {cavityEnergy__units}.