EGF-03784 Red

O=C(c1cccc(F)c1)N(c1cc(CNCC(CO)N2CCNCC2)ccc1O)S(=O)(=O)c1ccc(Cl)cc1
0.337
Platform Score
2D Structure
EGF-03784
C27H30ClFN4O5S | Exact mass: 576.1609
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
577
MW
4
HBD
2.6
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 Weight577.10 Da
TPSA122.2 A^2
HBD4
HBA8
SlogP2.58
Fsp30.296
Rotatable Bonds10
Rings4 (3 aromatic)
QED0.291
SA Score3.31 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H30ClFN4O5S
Exact Mass576.1609
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes