Table 3 List of Mordred descriptors
Descriptor name | Number of descriptors (preset) |
|---|---|
2D | |
ABCIndex | 2 |
AcidBase | 2 |
AdjacencyMatrix | 13 |
Aromatic | 2 |
AtomCount | 16 |
Autocorrelation | 606 |
BCUTa | 24 |
BalabanJa | 1 |
BaryszMatrixa | 104 |
BertzCT | 1 |
BondCount | 9 |
CarbonTypes | 10 |
Chi | 56 |
Constitutional | 16 |
DetourMatrix | 14 |
DistanceMatrix | 13 |
EState | 316 |
EccentricConnectivityIndex | 1 |
ExtendedTopochemicalAtom | 45 |
FragmentComplexity | 1 |
Framework | 1 |
HydrogenBonda | 2 |
InformationContent | 42 |
KappaShapeIndex | 3 |
Lipinski | 2 |
McGowanVolume | 1 |
MoeTypea | 53 |
MolecularDistanceEdge | 19 |
MolecularId | 12 |
PathCount | 21 |
Polarizability | 2 |
RingCount | 138 |
RotatableBonda | 2 |
SLogPa | 2 |
TopoPSAa | 2 |
TopologicalCharge | 21 |
TopologicalIndex | 4 |
VdwVolumeABC | 1 |
VertexAdjacencyInformation | 1 |
WalkCount | 21 |
Weight | 2 |
WienerIndex | 2 |
ZagrebIndex | 4 |
3D | |
CPSA | 43 |
GeometricalIndex | 4 |
GravitationalIndex | 4 |
MoRSE | 160 |
MomentOfInertia | 3 |