EGF-07008 Red

CCN(CC)CN1C(=O)N(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1
0.392
Platform Score
2D Structure
EGF-07008
C23H29N3O2 | Exact mass: 379.226
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
44
TPSA
380
MW
0
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 Weight379.50 Da
TPSA43.9 A^2
HBD0
HBA3
SlogP3.90
Fsp30.391
Rotatable Bonds7
Rings3 (2 aromatic)
QED0.685
SA Score2.64 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H29N3O2
Exact Mass379.226
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.