EGF-06517 Red

CC1=NN(C(=O)COC(=O)c2cccc(C)c2)C(c2cccc(Br)c2)C1
0.373
Platform Score
2D Structure
EGF-06517
C20H19BrN2O3 | Exact mass: 414.0579
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
59
TPSA
415
MW
0
HBD
4.3
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight415.30 Da
TPSA59.0 A^2
HBD0
HBA4
SlogP4.26
Fsp30.250
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.701
SA Score2.75 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H19BrN2O3
Exact Mass414.0579
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes
Retrosynthetic Analysis

Retrosynthetic analysis not yet run for this compound.

About

Retrosynthetic analysis decomposes the target molecule into purchasable building blocks using learned reaction templates.

A feasible route means the molecule can theoretically be synthesized from commercially available starting materials.

Min steps indicates the shortest synthesis route found.