EGF-06618 Red

CC(=O)N1N=C(c2cc(NC(=O)c3cccs3)ccc2F)CC1c1cccc(Cl)c1
0.314
Platform Score
2D Structure
EGF-06618
C22H17ClFN3O2S | Exact mass: 441.0714
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
62
TPSA
442
MW
1
HBD
5.5
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 Weight441.90 Da
TPSA61.8 A^2
HBD1
HBA4
SlogP5.49
Fsp30.136
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.581
SA Score2.85 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H17ClFN3O2S
Exact Mass441.0714
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes