EGF-06972 Red

O=C(O)c1cc(N=Nc2c(O)ccc3c2CC(c2ccccc2)NC3)ccc1O
0.268
Platform Score
2D Structure
EGF-06972
C22H19N3O4 | Exact mass: 389.1376
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
114
TPSA
389
MW
4
HBD
4.6
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 Weight389.40 Da
TPSA114.5 A^2
HBD4
HBA6
SlogP4.60
Fsp30.136
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.487
SA Score3.30 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H19N3O4
Exact Mass389.1376
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes