OKADAIC ACID Next Previous

ChEMBL ID CHEMBL280487
PubChem CID 446512
DrugBank Accession Number
ClinicalTrials OKADAIC ACID
Molecular Formula C44H68O13
Inchikey QNDVLZJODHBUFM-WFXQOWMNSA-N

Smiles
C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species BASE
Molecular Properties
Molecular Weight 805.0
Rotatable Bonds 10
Acidic pKa (ACD) 11.4
Basic pKa (ACD) 9.85
LogP (ACD) 5.53
LogD (ACD) 3.17
ALogP 3.88
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