EGF-00432 Green

Cc1cc(=NCCCNCCCCCO)c2c(Cl)csc2[nH]1
0.579
Platform Score
2D Structure
EGF-00432
C16H24ClN3OS | Exact mass: 341.1329
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
60
TPSA
342
MW
3
HBD
3.2
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 Weight341.90 Da
TPSA60.4 A^2
HBD3
HBA4
SlogP3.23
Fsp30.562
Rotatable Bonds9
Rings2 (2 aromatic)
QED0.613
SA Score3.19 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H24ClN3OS
Exact Mass341.1329
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes