EGF-00518 Green

O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
0.570
Platform Score
2D Structure
EGF-00518
C22H24N4O3S2 | Exact mass: 456.129
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
74
TPSA
457
MW
0
HBD
2.7
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 Weight456.60 Da
TPSA73.8 A^2
HBD0
HBA6
SlogP2.68
Fsp30.273
Rotatable Bonds7
Rings4 (3 aromatic)
QED0.547
SA Score2.25 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H24N4O3S2
Exact Mass456.129
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes