EGF-03776 Red

COc1ccc(-c2noc(CN(CC(C)C)C(=O)c3c(C)sc(C(=O)NC(C)C)c3N)n2)cc1
0.369
Platform Score
2D Structure
EGF-03776
C24H31N5O4S | Exact mass: 485.2097
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
124
TPSA
486
MW
2
HBD
4.1
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 Weight485.60 Da
TPSA123.6 A^2
HBD2
HBA8
SlogP4.13
Fsp30.417
Rotatable Bonds9
Rings3 (3 aromatic)
QED0.467
SA Score2.72 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H31N5O4S
Exact Mass485.2097
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.