EGF-00084 Green

CC1(C(=O)NNS(=O)(=O)c2cccs2)CC1(Br)Br
0.622
Platform Score
2D Structure
EGF-00084
C9H10Br2N2O3S2 | Exact mass: 415.85
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
418
MW
2
HBD
1.9
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 Weight418.10 Da
TPSA75.3 A^2
HBD2
HBA4
SlogP1.95
Fsp30.444
Rotatable Bonds4
Rings2 (1 aromatic)
QED0.580
SA Score3.37 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC9H10Br2N2O3S2
Exact Mass415.85
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes