EGF-06601 Red
COc1cc2ccn(-c3cc(C4c5c(C)n[nH]c5OC(=N)C4C#N)ccc3OC)c(=O)c2cc1OC
0.248
Platform Score
2D Structure
C26H23N5O5 | Exact mass: 485.1699
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
486
MW
2
HBD
3.7
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 | 485.50 Da |
| TPSA | 135.2 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 3.69 |
| Fsp3 | 0.231 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.440 |
| SA Score | 4.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H23N5O5 |
| Exact Mass | 485.1699 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |