EGF-01091 Yellow

O=c1[nH]c2cc(Cl)c(F)cc2n(NC(=S)N2CCN(c3ccccc3Cl)CC2)c1=O
0.501
Platform Score
2D Structure
EGF-01091
C19H16Cl2FN5O2S | Exact mass: 467.0386
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
468
MW
2
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 Weight468.30 Da
TPSA73.4 A^2
HBD2
HBA5
SlogP2.79
Fsp30.211
Rotatable Bonds2
Rings4 (3 aromatic)
QED0.445
SA Score2.78 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H16Cl2FN5O2S
Exact Mass467.0386
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.