EGF-05457 Red
COc1cc(C(=O)c2cn(C3CC3)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc(OC)c1OC
0.339
Platform Score
2D Structure
C27H30FN3O5 | Exact mass: 495.2169
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
496
MW
0
HBD
3.5
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 | 495.60 Da |
| TPSA | 73.2 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 3.48 |
| Fsp3 | 0.407 |
| Rotatable Bonds | 7 |
| Rings | 5 (3 aromatic) |
| QED | 0.465 |
| SA Score | 2.60 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H30FN3O5 |
| Exact Mass | 495.2169 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |