EGF-03234 Red
COc1cc(Br)ccc1N=Nc1c(N)[nH]c(SCC(=O)NCc2ccccc2)nc1=O
0.336
Platform Score
2D Structure
C20H19BrN6O3S | Exact mass: 502.0423
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
503
MW
3
HBD
4.0
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (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 Weight | 503.40 Da |
| TPSA | 134.8 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 3.95 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.242 |
| SA Score | 2.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H19BrN6O3S |
| Exact Mass | 502.0423 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |