MMsINC Ligand

MMsINC Database Search


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Ligand PDB

ligand: KHA
Name: 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM
SMILES: C[N+]1(CCCCC1)Cc2ccc(cc2)
C(=O)NCCO

[show PDB table]

MMsINC molecules which have a Tanimoto coefficient superior or equal to 0.70

Neutral Molecules: 71191Ionic States: 19018Tautomers: 4437Drug Similarity: 52

Items found 1 - 20 of 71191

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MMs03778386 tanimoto score: 1	MMs00283210 tanimoto score: 0.98	MMs00036513 tanimoto score: 0.96	MMs03864868 tanimoto score: 0.95
MMs02881885 tanimoto score: 0.95	MMs00307300 tanimoto score: 0.94	MMs00281257 tanimoto score: 0.94	MMs00281313 tanimoto score: 0.94
MMs03195212 tanimoto score: 0.94	MMs00528415 tanimoto score: 0.94	MMs00037556 tanimoto score: 0.94	MMs02161576 tanimoto score: 0.94
MMs00723413 tanimoto score: 0.94	MMs00353060 tanimoto score: 0.94	MMs00382026 tanimoto score: 0.94	MMs02334268 tanimoto score: 0.93
MMs02334267 tanimoto score: 0.93	MMs02334269 tanimoto score: 0.93	MMs00828104 tanimoto score: 0.93	MMs00828102 tanimoto score: 0.93