EGF-00282 Green

NC1CCN(c2ccc(N=c3cc(Nc4ccc(Cl)cc4Cl)[nH]cn3)cn2)CC1
0.574
Platform Score
2D Structure
EGF-00282
C20H21Cl2N7 | Exact mass: 429.1235
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
95
TPSA
430
MW
3
HBD
4.0
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 Weight430.30 Da
TPSA95.2 A^2
HBD3
HBA6
SlogP4.02
Fsp30.250
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.581
SA Score3.13 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H21Cl2N7
Exact Mass429.1235
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes