Ring

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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 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.

JCChainAtom

Returns TRUE if a specified atom of the input molecule is a chain atom (non-ring atoms excluding hydrogens, FALSE otherwise.

JCChainAtomCount

Returns the number of chain atoms (non-ring atoms excluding hydrogens).

JCChainBondCount

Returns the number of chain bonds (non-ring bonds excluding bonds of hydrogen atoms).

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 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 which 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 the 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 ring) in the input molecule.

JCAliphaticAtomCount

Returns the number of atoms in the molecule having no aromatic bond (excluding hydrogens).

JCAliphaticBondCount

Returns the number of non-aromatic bonds in the molecule (excluding bonds of hydrogen atoms).

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.

JCHeteroRingCount

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

JCHeteroAromaticRingCount

Returns number of aromatic heterocycles 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.

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.

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.

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