EGF-01954 Yellow

CN(C(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1)C1CCS(=O)(=O)C1
0.487
Platform Score
2D Structure
EGF-01954
C18H23N3O5S2 | Exact mass: 425.1079
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
426
MW
1
HBD
2.3
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 Weight425.50 Da
TPSA108.9 A^2
HBD1
HBA6
SlogP2.32
Fsp30.500
Rotatable Bonds2
Rings3 (2 aromatic)
QED0.794
SA Score3.47 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H23N3O5S2
Exact Mass425.1079
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes
Retrosynthetic Analysis

Retrosynthetic analysis not yet run for this compound.

About

Retrosynthetic analysis decomposes the target molecule into purchasable building blocks using learned reaction templates.

A feasible route means the molecule can theoretically be synthesized from commercially available starting materials.

Min steps indicates the shortest synthesis route found.