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Substructure search

    Level 1, level 2, and Level 3.
Search by Universal Information

    Entry, Name, Formula, Molecular Weight, InChI, canonical SMILES, and CASRN.
Search by 2D-descriptors

    Formal charge, Weight, logP(o/w), SlogP, logS, SMR, and TPSA.
    Number of rings, all atoms, chiral atoms, H-bond acceptors, H-bond donors, acidic atoms, basic atoms, aromatic atoms, shHeavy atoms, all bonds, single bonds, rotatable single bonds, double bonds, triple bonds, and aromatic bonds.
Search by 3D-descriptors

    Volume, ASA, VSA, density, diameter, dipole, globularity, and potential energy