COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL031531
Chemical Name: (2E,5alpha,8xi,9xi,14xi,17beta)-17-hydroxy-2-(hydroxymethylidene)-17-methylandrostan-3-one
Smiles: O/C=C/1\C[C@@]2(C)[C@H](CC1=O)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C

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Molecular Weight: 332.48
Empirical Formula: C21H32O3

Physical State: Dry powder
Available Amount: 1002 mg

Lipinsky:
logP: 4.215
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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