EGF-04808 Red
N=c1[nH]cnn2c(C(=O)NC(CO)c3cccc(F)c3)cc(-c3ccc(Oc4ccccc4)cc3)c12
0.234
Platform Score
2D Structure
C27H22FN5O3 | Exact mass: 483.1707
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
116
TPSA
484
MW
4
HBD
4.2
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 | 483.50 Da |
| TPSA | 115.5 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 4.20 |
| Fsp3 | 0.074 |
| Rotatable Bonds | 7 |
| Rings | 5 (5 aromatic) |
| QED | 0.278 |
| SA Score | 3.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H22FN5O3 |
| Exact Mass | 483.1707 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |