EGF-03762 Red

COc1ccc(-c2noc(CCC(=O)NCCS(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1OC
0.372
Platform Score
2D Structure
EGF-03762
C25H30ClN5O6S | Exact mass: 563.1605
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
564
MW
1
HBD
2.6
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 Weight564.10 Da
TPSA127.1 A^2
HBD1
HBA9
SlogP2.61
Fsp30.400
Rotatable Bonds11
Rings4 (3 aromatic)
QED0.374
SA Score2.50 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H30ClN5O6S
Exact Mass563.1605
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.