EGF-01629 Yellow

COC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)cnn1C
0.539
Platform Score
2D Structure
EGF-01629
C12H12ClN3O4S | Exact mass: 329.0237
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
90
TPSA
330
MW
1
HBD
1.7
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 Weight329.80 Da
TPSA90.3 A^2
HBD1
HBA6
SlogP1.66
Fsp30.167
Rotatable Bonds4
Rings2 (2 aromatic)
QED0.861
SA Score2.17 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC12H12ClN3O4S
Exact Mass329.0237
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes