EGF-00987 Yellow

O=C(NC1CCC(C(=O)N2CCSC2)NC1)c1cc2ccncc2s1
0.540
Platform Score
2D Structure
EGF-00987
C17H20N4O2S2 | Exact mass: 376.1028
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
74
TPSA
376
MW
2
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 Weight376.50 Da
TPSA74.3 A^2
HBD2
HBA6
SlogP1.68
Fsp30.471
Rotatable Bonds3
Rings4 (2 aromatic)
QED0.853
SA Score3.59 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H20N4O2S2
Exact Mass376.1028
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes