Enter SMILES, one per line:
| HAC | heavy atom count |
| MW | molecular weight |
| CLOGP | LogP, Wildman and Crippen (1999) |
| HBD | number of hydrogen bond donors |
| HBA | number of hydrogen bond acceptors |
| TPSA | total polar surface area |
| SA_SCORE | synthetic accessibility score; smaller means more accessible - Ertl & Schuffenhauer (2009) |
| QED | quantitative estimate of drug-likeness score, larger is more drug-like - Bickerton et al. (2012) |
| N_ROT_BONDS | number of rotatable bonds |
| PASSES_RO5 | whether or not mol passes Lipinski's Rule of 5 |