EGF-02498 Yellow

CC1CC(C)CN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n(C)c2)C1
0.504
Platform Score
2D Structure
EGF-02498
C23H31FN4O3S | Exact mass: 462.2101
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
66
TPSA
463
MW
0
HBD
2.8
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 Weight462.60 Da
TPSA65.9 A^2
HBD0
HBA5
SlogP2.79
Fsp30.522
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.701
SA Score3.12 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H31FN4O3S
Exact Mass462.2101
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.