EGF-05104 Red

Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1cc2cc(Cl)ccc2oc1=O
0.274
Platform Score
2D Structure
EGF-05104
C25H22ClN5O4 | Exact mass: 491.136
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
492
MW
1
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 Weight491.90 Da
TPSA102.0 A^2
HBD1
HBA8
SlogP3.54
Fsp30.200
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.260
SA Score2.65 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H22ClN5O4
Exact Mass491.136
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes