EGF-06231 Red

NS(=O)(=O)c1ccc(CCNC(=O)CSc2nccn2Cc2ccccc2)cc1
0.322
Platform Score
2D Structure
EGF-06231
C20H22N4O3S2 | Exact mass: 430.1133
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
107
TPSA
431
MW
2
HBD
2.0
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 Weight430.60 Da
TPSA107.1 A^2
HBD2
HBA6
SlogP2.03
Fsp30.200
Rotatable Bonds9
Rings3 (3 aromatic)
QED0.505
SA Score2.13 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H22N4O3S2
Exact Mass430.1133
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes