EGF-00442 Green

O=S(=O)(N=C1CCCN1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
0.578
Platform Score
2D Structure
EGF-00442
C16H15Cl2N3O4S2 | Exact mass: 446.9881
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
448
MW
2
HBD
3.3
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 Weight448.40 Da
TPSA104.7 A^2
HBD2
HBA4
SlogP3.26
Fsp30.188
Rotatable Bonds5
Rings3 (2 aromatic)
QED0.731
SA Score2.84 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H15Cl2N3O4S2
Exact Mass446.9881
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes