EGF-00295 Green

O=C(NCc1cccnc1)NC(=O)c1ccc(OCc2ccncn2)c(Cl)c1Cl
0.581
Platform Score
2D Structure
EGF-00295
C19H15Cl2N5O3 | Exact mass: 431.0552
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
432
MW
2
HBD
3.4
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 Weight432.30 Da
TPSA106.1 A^2
HBD2
HBA6
SlogP3.40
Fsp30.105
Rotatable Bonds6
Rings3 (3 aromatic)
QED0.619
SA Score2.48 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H15Cl2N5O3
Exact Mass431.0552
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes