COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010995
Chemical Name: 3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethenyl}furan-2(5H)-one
Smiles: OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C

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Molecular Weight: 332.44
Empirical Formula: C20H28O4

Physical State: Dry powder
Available Amount: 1022 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 66
Number of rings: 3

     

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