EGF-03010 Red

CCC(C(=O)Nc1cc(OC)ccc1OC)n1ncc2c(=O)n(C)c(=O)n(C3CCCC3)c2c1=O
0.395
Platform Score
2D Structure
EGF-03010
C24H29N5O6 | Exact mass: 483.2118
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
484
MW
1
HBD
2.0
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 Weight483.50 Da
TPSA126.4 A^2
HBD1
HBA10
SlogP1.98
Fsp30.458
Rotatable Bonds7
Rings4 (3 aromatic)
QED0.544
SA Score3.18 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H29N5O6
Exact Mass483.2118
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.