EGF-00672 Green

c1ccc(N=c2[nH]cnc3sc(-c4ccnc(N5CCOCC5)c4)cc23)cc1
0.564
Platform Score
2D Structure
EGF-00672
C21H19N5OS | Exact mass: 389.131
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
66
TPSA
390
MW
1
HBD
3.8
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 Weight389.50 Da
TPSA66.4 A^2
HBD1
HBA6
SlogP3.76
Fsp30.190
Rotatable Bonds3
Rings5 (4 aromatic)
QED0.579
SA Score2.91 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H19N5OS
Exact Mass389.131
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes