EGF-01578 Yellow

O=C(N1CCCC(N2CCCC2)CC1)n1c(O)cn(-c2ccsc2)c1=O
0.544
Platform Score
2D Structure
EGF-01578
C18H24N4O3S | Exact mass: 376.1569
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
376
MW
1
HBD
2.3
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 Weight376.50 Da
TPSA70.7 A^2
HBD1
HBA7
SlogP2.32
Fsp30.556
Rotatable Bonds2
Rings4 (2 aromatic)
QED0.873
SA Score3.36 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H24N4O3S
Exact Mass376.1569
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes