EGF-05917 Red

O=C(NCCN=c1cnc(C(F)(F)F)c[nH]1)c1ccc(-c2ccccc2)cc1
0.377
Platform Score
2D Structure
EGF-05917
C20H17F3N4O | Exact mass: 386.1354
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
70
TPSA
386
MW
2
HBD
3.4
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 Weight386.40 Da
TPSA70.1 A^2
HBD2
HBA3
SlogP3.43
Fsp30.150
Rotatable Bonds5
Rings3 (3 aromatic)
QED0.660
SA Score2.75 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H17F3N4O
Exact Mass386.1354
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.