Ring-Based

    JCAliphaticRingCount

    Returns the number of those rings in the molecule, which have non-aromatic bonds (SSSR based).

    JCAliphaticRingCountOfSize

    Returns the number of aliphatic rings with a given size (number of atoms in a ring) in the input molecule.

    JCAromaticRingCount

    Returns the number of aromatic rings in the molecule. This number is calculated from the smallest set of smallest aromatic rings (SSSAR), which might contain rings that are not part of the standard SSSR ring set. As a consequence, the sum of the aliphatic ring count and the aromatic ring count can sometimes be greater than the ring count value. The difference is the sign of a macroaromatic ring system.

    JCAromaticRingCountofSize

    Returns the number of aromatic rings of a predefined size (number of atoms in a ring) in the input molecule.

    JCAromaticAtom

    Returns TRUE if the specified atom of the input molecule is aromatic, FALSE otherwise.

    JCAromaticAtomCount

    Returns number of atoms in the molecule having aromatic bonds.

    JCAromaticBondCount

    Returns the number of aromatic bonds in the molecule.

    JCCarboRingCount

    Returns the number of those rings in the molecule, which contain carbon atoms only.

    JCCarboAromaticRingCount

    Returns the number of heterocycles in the molecule containing carbon atoms only (SSSAR based).

    JCFusedRingCount

    Returns the number of fused rings in the molecule (having common bonds).

    JCFusedAliphaticRingCount

    Returns the number of aliphatic rings having common bonds with other rings.

    JCFusedAromaticRingCount

    Returns the number of aromatic rings having common bonds with other rings.

    JCHeteroRingCount

    Returns the number of those rings in the molecule, which contain heteroatoms.

    JCHeteroAromaticRingCount

    Returns number of aromatic heterocycles in the molecule.

    JCLargestRingSize

    Returns the size of the largest ring in the molecule.

    JCLargestAtomRingSize

    Returns the size (number of atoms) of the largest ring containing a specified atom in the input molecule.

    JCLargestRingSystemSize

    Returns the size of the largest ring system in the input molecule.

    JCRingAtom

    Returns TRUE if a specified atom in the input molecule is a ring atom, FALSE otherwise.

    JCRingAtomCount

    Returns number of ring atoms.

    JCRingBondCount

    Returns the number of ring bonds.

    JCRingCount

    Returns the number of rings in the molecule. This calculation is based on SSSR (Smallest Set of Smallest Rings).

    JCRingCountOfAtom

    Returns the number of rings passing through a specified atom in the input molecule.

    JCRingCountOfSize

    Returns the number of rings of a specified size (number of atoms in a ring) in the input molecule.

    JCRingSystemCount

    Returns the number of ring systems in the input molecule.

    JCRingSystemCountOfSize

    Returns the number of ring systems in the input molecule containing a specified number of atoms.

    JCSmallestRingSize

    Returns the size of the smallest ring in the molecule.

    JCSmallestAtomRingSize

    Returns the size of the smallest ring containing a specified atom in the input molecule.

    JCSmallestRingSystemSize

    Returns the size of the smallest ring system in the input molecule.