EGF-05371 Red
COc1ccc2c(c1)CCN(C(=O)c1ccc(OC3CCNC3)c(-c3ccc(C)c(F)c3)c1)C2
0.342
Platform Score
2D Structure
C28H29FN2O3 | Exact mass: 460.2162
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
51
TPSA
460
MW
1
HBD
4.8
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 | 460.50 Da |
| TPSA | 50.8 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.75 |
| Fsp3 | 0.321 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.597 |
| SA Score | 2.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H29FN2O3 |
| Exact Mass | 460.2162 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |