EGF-03188 Red

CCC(C)(C)NCC(O)CNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1
0.372
Platform Score
2D Structure
EGF-03188
C20H29N5O4 | Exact mass: 403.222
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
404
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 Weight403.50 Da
TPSA122.3 A^2
HBD3
HBA7
SlogP2.02
Fsp30.500
Rotatable Bonds10
Rings2 (2 aromatic)
QED0.412
SA Score3.03 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H29N5O4
Exact Mass403.222
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.