EGF-01541 Green

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4ccncc4[nH]3)cn2)CC1
0.567
Platform Score
2D Structure
EGF-01541
C20H24N6O2 | Exact mass: 380.1961
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
87
TPSA
380
MW
1
HBD
3.1
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 Weight380.50 Da
TPSA87.2 A^2
HBD1
HBA6
SlogP3.08
Fsp30.400
Rotatable Bonds2
Rings4 (3 aromatic)
QED0.735
SA Score2.42 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H24N6O2
Exact Mass380.1961
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes