For predicting properties of a chemical compound just draw its structure and Property Explorer will start calculating properties as soon as a chemical structure is valid. Charges should be balanced and atom valances not exceeded. Nitro-groups, for instance, should be drawn with a positive charge on nitrogen and a negative on one of the oxygens with a single bond connecting these two atoms. For an explanation of the significance of a specific property and the calculation algorithm applied see the corresponding page below:
Molecular Weight
Calculated LogP
Aqueous Solubility
TPSA
Drug-Likeness
Toxicity Assessment
Overall Drug-Score