EGF-05596 Red

CC(=O)N=c1[nH]c(C(=O)N=c2cccc(N3CCCCC3C)[nH]2)c(-c2cccc(C)c2)s1
0.333
Platform Score
2D Structure
EGF-05596
C24H27N5O2S | Exact mass: 449.1885
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
94
TPSA
450
MW
2
HBD
4.0
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 Weight449.60 Da
TPSA93.7 A^2
HBD2
HBA4
SlogP3.95
Fsp30.333
Rotatable Bonds3
Rings4 (3 aromatic)
QED0.634
SA Score4.01 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H27N5O2S
Exact Mass449.1885
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes