Live · PubChem PUG REST

Drug Design Universe

Paste up to 50 PubChem Compound IDs or compound names — one per line, or comma-separated for simple names. Chemical names containing commas (e.g. 12-Oxododecanoic acid, ethyl ester) are automatically detected and kept as a single entry.

CIDs or compound names (max 50)

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	CID	Name	Formula	MW	SMILES	3D SDF	2D SDF	PubChem

Auto-fetch · SwissADME / ProTox-II · AI-powered

ADMET Profiling

Paste a SMILES string and click Auto-fetch from SMILES — the AI will predict and fill in all SwissADME physicochemical properties and ProTox-II toxicity data automatically. You can still edit any field manually before adding to the report.

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Compound (CID or Name)

SMILES — paste here to auto-fill all fields

Physicochemical properties

M.W. (g/mol)

Heavy atoms

Arom. heavy atoms

Rotatable bonds

H-bond acceptors

H-bond donors

Molar Refractivity

Lipophilicity & Water Solubility

Log P o/w

Log S (ESOL)

Pharmacokinetics

GI absorption

BBB permeant

Drug-likeness

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability Score

Medicinal Chemistry

Synthetic accessibility

Toxicity Profile

LD50 (mg/kg)

Hepatotoxicity

Carcinogenicity

Immunotoxicity

Mutagenicity

Cytotoxicity

Acute Oral Toxicity (GHS)

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#	Compound	M.W.	LogP	GI abs.	LD50