EGF-04913 Red

O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2nccc3[nH]nc(-c4cccs4)c23)c(F)c1
0.228
Platform Score
2D Structure
EGF-04913
C25H18FN5O2S2 | Exact mass: 503.0886
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
504
MW
3
HBD
5.7
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 Weight503.60 Da
TPSA91.9 A^2
HBD3
HBA6
SlogP5.67
Fsp30.040
Rotatable Bonds6
Rings5 (5 aromatic)
QED0.259
SA Score2.66 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H18FN5O2S2
Exact Mass503.0886
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes