COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010924
Chemical Name: (3E)-4-hydroxy-3-{2-[(4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one
Smiles: OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1\C(O)COC1=O)C

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Molecular Weight: 350.46
Empirical Formula: C20H30O5

Physical State: Dry powder
Available Amount: 1032 mg

Lipinsky:
logP: 1.616
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 86
Number of rings: 3

     

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