EGF-01813 Yellow

O=C(N=c1[nH]c2ccccc2s1)C1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cn2)CC1
0.501
Platform Score
2D Structure
EGF-01813
C24H29N5O3S2 | Exact mass: 499.1712
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
99
TPSA
500
MW
1
HBD
3.5
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 Weight499.70 Da
TPSA98.7 A^2
HBD1
HBA6
SlogP3.53
Fsp30.458
Rotatable Bonds4
Rings5 (3 aromatic)
QED0.592
SA Score2.77 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H29N5O3S2
Exact Mass499.1712
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
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.