EGF-00311 Green
N#CCC1(n2cc(-c3cncc(Cl)c3)cn2)CN(C2CCN(C(=O)c3cc(F)ccn3)CC2)C1
0.562
Platform Score
2D Structure
C24H23ClFN7O | Exact mass: 479.1637
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
480
MW
0
HBD
3.4
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 | 479.90 Da |
| TPSA | 90.9 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 3.36 |
| Fsp3 | 0.375 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.557 |
| SA Score | 3.12 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H23ClFN7O |
| Exact Mass | 479.1637 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |