EGF-03310 Red

CCN1CCN(c2cncc(-c3cn(-c4cc(C(=O)N=c5cc(C(F)(F)F)cc[nH]5)ccc4C)nn3)c2)CC1
0.387
Platform Score
2D Structure
EGF-03310
C27H27F3N8O | Exact mass: 536.226
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
537
MW
1
HBD
3.9
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 Weight536.60 Da
TPSA95.3 A^2
HBD1
HBA7
SlogP3.87
Fsp30.296
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.416
SA Score3.23 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H27F3N8O
Exact Mass536.226
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.