MolMod

Input SMILES:

Number of molecules to generate:

Will generate 100 molecules and select the best ${ generationCount } Will generate ${ generationCount } molecules

Single Property

Multi Property

Select Parameter:

Multi-parameter selection:

Whether to enable advanced structure requirements

Whether to include rings

Number of benzene rings

Number of heterocyclic rings

Number of N atoms

Number of O atoms

Generating molecular optimization results, please wait...

${error}

Show:

${ filterErrorMessage }

SMILES

Physical Properties

Molecular Weight ${mol.mol_weight}

TPSA ${mol.tpsa}

H Acceptors ${mol.h_acceptors}

H Donors ${mol.h_donors}

Rotatable Bonds ${mol.rot_bonds}

ADMET Properties

LogP ${mol.logp}

LogS ${mol.logs}

BBB ${mol.bbb}

LD50 ${mol.ld50}