EGF-05374 Red
CCOC(=O)Cc1c(C(=O)O)c2cc(OC)ccc2n1C(c1ccccc1)c1ccccc1
0.285
Platform Score
2D Structure
C27H25NO5 | Exact mass: 443.1733
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
444
MW
1
HBD
5.1
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 | 443.50 Da |
| TPSA | 77.8 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.09 |
| Fsp3 | 0.185 |
| Rotatable Bonds | 8 |
| Rings | 4 (4 aromatic) |
| QED | 0.384 |
| SA Score | 2.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H25NO5 |
| Exact Mass | 443.1733 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |