EGF-00269 Green

O=C(O)CCCNC(=O)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2Cl)n1
0.556
Platform Score
2D Structure
EGF-00269
C20H17BrClN3O3 | Exact mass: 461.0142
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
463
MW
2
HBD
4.5
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 Weight462.70 Da
TPSA84.2 A^2
HBD2
HBA4
SlogP4.55
Fsp30.150
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.505
SA Score2.26 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H17BrClN3O3
Exact Mass461.0142
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes