EGF-05469 Red
C=CCn1c(=N)c2c(c3nc4cccc(C)c4nc31)N=C1CC(C)(C)CCC1C2(C)C
0.244
Platform Score
2D Structure
C26H31N5 | Exact mass: 413.2579
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
67
TPSA
414
MW
1
HBD
5.8
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 | 413.60 Da |
| TPSA | 66.9 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.75 |
| Fsp3 | 0.462 |
| Rotatable Bonds | 2 |
| Rings | 5 (3 aromatic) |
| QED | 0.429 |
| SA Score | 4.02 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H31N5 |
| Exact Mass | 413.2579 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |