EGF-06007 Red

CN(C)C(=O)COC12CCCC1(S(=O)(=O)CC(C)(O)c1cc(Cl)ns1)c1cc(F)ccc1OC2
0.293
Platform Score
2D Structure
EGF-06007
C22H26ClFN2O6S2 | Exact mass: 532.0905
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
533
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 Weight533.00 Da
TPSA106.0 A^2
HBD1
HBA8
SlogP2.87
Fsp30.545
Rotatable Bonds7
Rings4 (2 aromatic)
QED0.584
SA Score4.79 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H26ClFN2O6S2
Exact Mass532.0905
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes