EGF-01146 Yellow

Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC(c1ccccn1)N1CCCCC1
0.521
Platform Score
2D Structure
EGF-01146
C22H31N5O3S | Exact mass: 445.2148
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
446
MW
1
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 Weight445.60 Da
TPSA87.5 A^2
HBD1
HBA6
SlogP2.16
Fsp30.545
Rotatable Bonds7
Rings4 (2 aromatic)
QED0.706
SA Score2.96 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H31N5O3S
Exact Mass445.2148
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes