EGF-00531 Green

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1
0.608
Platform Score
2D Structure
EGF-00531
C16H14Cl4N4O | Exact mass: 417.9922
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
48
TPSA
420
MW
1
HBD
5.0
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 Weight420.10 Da
TPSA48.5 A^2
HBD1
HBA3
SlogP5.05
Fsp30.250
Rotatable Bonds2
Rings3 (2 aromatic)
QED0.740
SA Score2.09 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H14Cl4N4O
Exact Mass417.9922
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes