EGF-00591 Green

NC(=O)c1csc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
0.644
Platform Score
2D Structure
EGF-00591
C16H16ClN3O2S | Exact mass: 349.0652
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
350
MW
1
HBD
2.9
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 Weight349.80 Da
TPSA76.3 A^2
HBD1
HBA4
SlogP2.92
Fsp30.312
Rotatable Bonds3
Rings3 (2 aromatic)
QED0.925
SA Score2.20 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H16ClN3O2S
Exact Mass349.0652
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes