Main
About
Digital Chemistry
MOP Host–Guest Screener
Explore geometric compatibility between metal-organic polyhedra and molecular guests.
1,471
hosts
1,936
POMs
3.28 M
pairs
Molecule@MOP
Browse POM@MOPs
Best Fits
Find compatible MOP hosts for any molecule
Check
Type any name → live PubChem lookup · or pick a screened compound below
292 drug & research compounds ▾
POM → MOP hosts
MOP → POM guests
Search Parameters
Loading…
Reset
POM ID
Formula contains
Class
All classes
Polyoxotungstate
Polyoxomolybdate
Polyoxovanadate
Polyoxoniobate
Polyoxotantalate
Elements (comma-separated)
Charge min
Charge max
Outer Diameter min (Å)
Outer Diameter max (Å)
Min compatible MOPs
Mass max (Da)
Filter by compatible MOP host properties
MOP Shape
Any shape
Asymmetric (Cs)
Cube
Cuboctahedron
Icosahedron
Mesocate
Octahedron
Pyritohedron (Th)
Rhombic Dodecahedron
Tetrahedron
Triangular Orthobicupola
Trigonal Plane
Trigonal Prism
MOP Symmetry
Any symmetry
Cs
D3h
Ih
Oh
Td
Th
MOP CBU contains
MOP Inner ⌀ min (Å)
MOP Inner ⌀ max (Å)
MOP Outer ⌀ min (Å)
MOP Outer ⌀ max (Å)
MOP Charge min
MOP Charge max
📖 Experimental MOPs only
✕ Back to list
All shapes
Asymmetric (Cs)
Cube
Cuboctahedron
Icosahedron
Mesocate
Octahedron
Pyritohedron (Th)
Rhombic Dodecahedron
Tetrahedron
Triangular Orthobicupola
Trigonal Plane
Trigonal Prism
All symmetries
Cs
D3h
Ih
Oh
Td
Th
📖 Experimental only
Inner ⌀
Charge
MOP ID
Shape
Assembly
CBU 1
CBU 2
Inner ⌀ (Å)
Charge
POM ID
Formula
⌀ (Å)
Mass (Da)
Charge
Hosts
▼
Load more
Search MOPs
Loading…
Reset
MOP ID
Shape
All shapes
Asymmetric (Cs)
Cube
Cuboctahedron
Icosahedron
Mesocate
Octahedron
Pyritohedron (Th)
Rhombic Dodecahedron
Tetrahedron
Triangular Orthobicupola
Trigonal Plane
Trigonal Prism
Symmetry
All symmetries
Cs
D3h
Ih
Oh
Td
Th
CBU / Elements contains
Inner ⌀ min (Å)
Inner ⌀ max (Å)
Outer ⌀ min (Å)
Outer ⌀ max (Å)
Charge min
Charge max
📖 Experimental only (111 synthesized MOPs)
MOP ID
Shape
Sym.
CBU 1
CBU 2
Inner ⌀ (Å)
Outer ⌀ (Å)
Charge
POMs
▼
Load more
✕ Back to list
Compatible POM guests
Filter POM guests
Outer ⌀
POM ID
Formula
⌀ (Å)
Mass (Da)
Charge
Size-optimised pairs — guests filling 70–90% of the MOP cavity
Filter Parameters
Reset
POM or MOP ID
Filter by MOP host properties
MOP Shape
Any shape
Asymmetric (Cs)
Cube
Cuboctahedron
Icosahedron
Mesocate
Octahedron
Pyritohedron (Th)
Rhombic Dodecahedron
Tetrahedron
Triangular Orthobicupola
Trigonal Plane
Trigonal Prism
MOP Symmetry
Any symmetry
Cs
D3h
Ih
Oh
Td
Th
CBU / Elements contains
MOP Inner ⌀ min (Å)
MOP Inner ⌀ max (Å)
MOP Outer ⌀ min (Å)
MOP Outer ⌀ max (Å)
MOP Charge min
MOP Charge max
📖 Experimental MOPs only
POM (guest)
Guest ⌀ (Å)
MOP (host)
Shape · CBU
Cavity ⌀ (Å)
Fill %
▼
Load more rows
↓ Download XYZ
✕
Loading 3D…
