EGF-00611 Green
Cn1ccc(C(=O)N2CCC3(CC2)C(=O)N(Cc2ccccc2)CN3c2ccccc2)n1
0.577
Platform Score
2D Structure
C25H27N5O2 | Exact mass: 429.2165
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
62
TPSA
430
MW
0
HBD
2.9
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 | 429.50 Da |
| TPSA | 61.7 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 2.90 |
| Fsp3 | 0.320 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.640 |
| SA Score | 2.93 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H27N5O2 |
| Exact Mass | 429.2165 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |