EGF-02821 Red

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(C(C)(C)C)nn3C)cn2C)cc1C(=O)NCCN1CCOCC1
0.377
Platform Score
2D Structure
EGF-02821
C27H38N8O4 | Exact mass: 538.3016
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
128
TPSA
539
MW
3
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 Weight538.70 Da
TPSA127.5 A^2
HBD3
HBA9
SlogP1.96
Fsp30.481
Rotatable Bonds8
Rings4 (3 aromatic)
QED0.402
SA Score2.91 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H38N8O4
Exact Mass538.3016
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.