EGF-02740 Green

O=C(NC1CCN(C(=S)NCc2ccccc2)CC1)c1ccco1
0.551
Platform Score
2D Structure
EGF-02740
C18H21N3O2S | Exact mass: 343.1354
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
58
TPSA
344
MW
2
HBD
2.5
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 Weight343.50 Da
TPSA57.5 A^2
HBD2
HBA3
SlogP2.55
Fsp30.333
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.836
SA Score2.08 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H21N3O2S
Exact Mass343.1354
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes