EGF-01753 Yellow

O=C(CSc1ccccc1Cl)NCCn1c(O)csc1=O
0.539
Platform Score
2D Structure
EGF-01753
C13H13ClN2O3S2 | Exact mass: 344.0056
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
345
MW
2
HBD
2.2
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight344.80 Da
TPSA71.3 A^2
HBD2
HBA6
SlogP2.18
Fsp30.231
Rotatable Bonds6
Rings2 (2 aromatic)
QED0.788
SA Score2.47 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC13H13ClN2O3S2
Exact Mass344.0056
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes