EGF-00687 Green

O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
0.581
Platform Score
2D Structure
EGF-00687
C14H15BrN2O4S3 | Exact mass: 449.9377
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
451
MW
0
HBD
2.2
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 Weight451.40 Da
TPSA74.8 A^2
HBD0
HBA5
SlogP2.21
Fsp30.286
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.715
SA Score2.08 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H15BrN2O4S3
Exact Mass449.9377
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes