EGF-05450 Red

O=C(CSc1nnnn1-c1cccc2ccccc12)N1CCN(c2ccccc2)CC1
0.357
Platform Score
2D Structure
EGF-05450
C23H22N6OS | Exact mass: 430.1576
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
67
TPSA
430
MW
0
HBD
3.3
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 Weight430.50 Da
TPSA67.2 A^2
HBD0
HBA7
SlogP3.26
Fsp30.217
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.453
SA Score2.16 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H22N6OS
Exact Mass430.1576
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes