EGF-05931 Red

Cc1cnc(-c2cc(N3CCN(C(=O)NC(CO)c4ccc(F)cn4)CC3)ncc2Cl)c(C)c1
0.350
Platform Score
2D Structure
EGF-05931
C24H26ClFN6O2 | Exact mass: 484.179
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
94
TPSA
485
MW
2
HBD
3.5
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 Weight485.00 Da
TPSA94.5 A^2
HBD2
HBA6
SlogP3.51
Fsp30.333
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.575
SA Score3.29 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H26ClFN6O2
Exact Mass484.179
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes