EGF-06002 Red
CN(C)Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cc5ccccc5[nH]4)c3)nc2c1
0.287
Platform Score
2D Structure
C25H23N5O | Exact mass: 409.1903
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
410
MW
3
HBD
5.0
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 | 409.50 Da |
| TPSA | 76.8 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 5.03 |
| Fsp3 | 0.120 |
| Rotatable Bonds | 5 |
| Rings | 5 (5 aromatic) |
| QED | 0.381 |
| SA Score | 2.33 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H23N5O |
| Exact Mass | 409.1903 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |