COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL030013
Chemical Name: (16alpha)-16,17-epoxypregn-4-ene-3,20-dione
Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@]2(O1)C(=O)C)C)C

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Molecular Weight: 328.45
Empirical Formula: C21H28O3

Physical State: Dry powder
Available Amount: 1009 mg

Lipinsky:
logP: 2.733
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 46
Number of rings: 5

     

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