Computational Tools

Similarity Search

Find structural analogs using Morgan Fingerprints and Tanimoto coefficients to identify chemical neighbors.

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Substructure Search

Mine the library for specific chemical scaffolds, functional groups, or molecular fragments.

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Property Calculator

Calculate real-time ADMET properties (LogP, TPSA, MW) for any custom molecule or drawn structure.

Launch Tool

High-Throughput Virtual Screening

Step 1 1 Target Protein Structure

OR Upload File

Click to upload or drag and drop

Step 3 3 Screening Mode

BIMP

Specific Plant

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3D Visualization

Load PDB to preview structure

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Database Filters

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Quick Presets

Lipinski

Ghose

Veber

Egan

Muegge

Molecular Weight

LogP

TPSA

Molar Refractivity

H-Bond Donors

H-Bond Acceptors

Rotatable Bonds

Heavy Atoms

Aromatic Rings

Heteroatoms

Total Atoms

Carbon Count

Bioactivity of Indian Medicinal Plants

Computational Tools

Similarity Search

Substructure Search

Property Calculator

High-Throughput Virtual Screening

Database Filters

Processing Job

Submitted!