EGF-03237 Red

CCn1c(=O)c2cc([N+](=O)[O-])c(NCCN)c(Cl)c2n(CC)c1=O
0.386
Platform Score
2D Structure
EGF-03237
C14H18ClN5O4 | Exact mass: 355.1047
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
125
TPSA
356
MW
2
HBD
1.1
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 Weight355.80 Da
TPSA125.2 A^2
HBD2
HBA8
SlogP1.14
Fsp30.429
Rotatable Bonds6
Rings2 (2 aromatic)
QED0.591
SA Score2.86 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H18ClN5O4
Exact Mass355.1047
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.