EGF-05436 Red

Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCNCCCN=c1c2c([nH]c3ccccc13)CCCC2
0.272
Platform Score
2D Structure
EGF-05436
C35H45N7O | Exact mass: 579.3686
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
89
TPSA
580
MW
3
HBD
4.4
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 Weight579.80 Da
TPSA88.7 A^2
HBD3
HBA6
SlogP4.36
Fsp30.457
Rotatable Bonds10
Rings6 (4 aromatic)
QED0.243
SA Score3.08 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC35H45N7O
Exact Mass579.3686
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes