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Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
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Calculated Properties
Molecular Weight: 405.04
Molecular Weight (Monoisotopic): 402.9055
AlogP: 3.01
#Rotatable Bonds: 5
Polar Surface Area: 79.55
Molecular Species: ACID
HBA: 5
HBD: 1
#RO5 Violations: ┄
HBA (Lipinski): 5
HBD (Lipinski): 1
#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 6.11
CX Basic pKa: ┄
CX LogP: 3.51
CX LogD: 2.26
Aromatic Rings: 1
Heavy Atoms: 20
QED Weighted: 0.35
Np Likeness Score: -0.75
References
1.Hoeger B, Diether M, Ballester PJ, Köhn M.. (2014) Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver., 88 [PMID:25159123][10.1016/j.ejmech.2014.08.060]