EGF-03978 Red

COCCOC(=O)c1c(CSc2nc(SC)nn2CCC#N)csc1N
0.350
Platform Score
2D Structure
EGF-03978
C15H19N5O3S3 | Exact mass: 413.065
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
116
TPSA
414
MW
1
HBD
2.6
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 Weight413.60 Da
TPSA116.0 A^2
HBD1
HBA11
SlogP2.65
Fsp30.467
Rotatable Bonds10
Rings2 (2 aromatic)
QED0.356
SA Score3.20 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC15H19N5O3S3
Exact Mass413.065
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes