Structure-activity study on anticonvulsant (thio) hydantoins using molecular connectivity indices

The relationship between molecular connectivity indices and anticonvulsant activity of a series of hydantoin/thiohydantoin analogs has been investigated. The values of molecular connectivity index and valence molecular connectivity index of 82 compounds were computed and active ranges were identified. The activity assigned to each analog using these topological descriptors was subsequently compared with the reported activity against maximal electroshock convulsions. Predictions with high degree of accuracy were observed using these indices.