COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009944
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2

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Molecular Weight: 315.28
Empirical Formula: C16H13NO6

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 1.367
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 5

     

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