Cheminformatics

Find the largest common substructure of two molecules:

maximum common substructure of atp and caffeine

hydrastine, myricetin MCS

diphenylcyclopropane, truxenone common substructure

Find the longest chemical chain:

longest overall chain in decanoyl peroxide

cysteine, salmon calcitonin longest straight chain

margaric acid carbon backbone

Find aromatic atoms:

what is the aromatic structure of 4-methoxytriphenylamine

Find hydrogen bond donors and acceptors:

how many h-bond acceptors are in furethidine

h-bond donors in dansyllysine

Get resonance structures for chemicals:

nitrate resonance diagrams

what are the resonance structures of adenine

fluoranthene resonance diagrams

Enter a formula:

C4H8O2 possible structures

C3NH4FO random isomers

potential structures of C3H5N3O2

Compute a set of topological indices for a molecule:

butane topological indices

graph properties of L-2-aminobutyric acid

Compute a particular topological descriptor:

cyclopentane Schultz index

buckminsterfullerene Balaban index

Hosoya index of cholesterol