EGF-00669 Green

CN1CCN(S(=O)(=O)c2cn(C)cn2)Cc2cccnc21
0.565
Platform Score
2D Structure
EGF-00669
C13H17N5O2S | Exact mass: 307.1103
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
71
TPSA
307
MW
0
HBD
0.5
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 Weight307.40 Da
TPSA71.3 A^2
HBD0
HBA6
SlogP0.46
Fsp30.385
Rotatable Bonds2
Rings3 (2 aromatic)
QED0.806
SA Score2.75 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC13H17N5O2S
Exact Mass307.1103
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes