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SettingsResearch demo · not for clinical or commercial use
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Chemistry & ADMET · Corollary Labs

Molecular Property Calculator

Lipinski, Veber and lead-likeness descriptors computed from SMILES — instantly, free.

Commercial use permittedThe MIT licence allows use in commercial research and products.MIT
Availability
Instant
Typical latency
40ms
Credits per run
Free
Compute tier
S · Micro

< 1s

Run this model

Molecular Property Calculator

Canonical SMILES for the small molecule.

Needs ligand smiles

About this model

Deterministic cheminformatics: molecular formula and weight, heavy atom count, rotatable bonds, hydrogen bond donors and acceptors, ring count, and the Lipinski and Veber rule assessments. No model, no GPU, no uncertainty — just the numbers every medicinal chemist checks first.

Standardized I/O contract

Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.

Inputs

  • smilessmiles · required

    Ligand SMILES

Outputs

  • descriptorstable

    Computed physicochemical properties.

  • rulestable

    Lipinski Ro5 and Veber compliance.

Specification

Hardware
CPU only
GPU memory
CPU only
Version
1.0
Licence
MIT
Backend
InstantLive data source
MCP server
mcp-molecule-server

Tasks

property calculationdruglikeness
cheminformaticsfreeno-gpudescriptors