EGF-01103 Yellow

FC(F)(F)c1[nH]cnc1CN1CCN(c2nc3scc(Br)c3[nH]c2=NC2CC2)CC1
0.495
Platform Score
2D Structure
EGF-01103
C18H19BrF3N7S | Exact mass: 501.0558
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
502
MW
2
HBD
3.5
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 Weight502.40 Da
TPSA76.2 A^2
HBD2
HBA6
SlogP3.51
Fsp30.500
Rotatable Bonds4
Rings5 (3 aromatic)
QED0.573
SA Score3.64 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H19BrF3N7S
Exact Mass501.0558
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.