EGF-07364 Red

COc1ccc2c(c1)-c1c(cnn1C1CN(Cc3cc4ccccc4[nH]3)CC(CO)O1)CS2(=O)=O
0.278
Platform Score
2D Structure
EGF-07364
C25H26N4O5S | Exact mass: 494.1624
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
495
MW
2
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 Weight494.60 Da
TPSA109.7 A^2
HBD2
HBA8
SlogP2.72
Fsp30.320
Rotatable Bonds5
Rings6 (4 aromatic)
QED0.439
SA Score3.97 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H26N4O5S
Exact Mass494.1624
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes