EGF-05590 Red
COc1cc(C(O)(CN(C)C)Cn2cc(C(N)=O)c(-c3ccccc3F)c2)c(OC)c2ccccc12
0.275
Platform Score
2D Structure
C28H30FN3O4 | Exact mass: 491.222
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
90
TPSA
492
MW
2
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 | 491.60 Da |
| TPSA | 90.0 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.01 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 9 |
| Rings | 4 (4 aromatic) |
| QED | 0.369 |
| SA Score | 3.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H30FN3O4 |
| Exact Mass | 491.222 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |