EGF-06222 Red
COc1ncc(Cl)cc1-c1ccc(F)cc1C(=O)N1CCCC1c1c[nH]c(C)nc1=N
0.321
Platform Score
2D Structure
C22H21ClFN5O2 | Exact mass: 441.1368
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
442
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 | 441.90 Da |
| TPSA | 95.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.04 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.638 |
| SA Score | 3.50 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H21ClFN5O2 |
| Exact Mass | 441.1368 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |