EGF-05417 Red
CCc1cc(CC)nc(N2CCNC(C(C)(CCC(F)(F)F)C(O)Cc3ccc(F)c(Cl)c3)C2)n1
0.264
Platform Score
2D Structure
C25H33ClF4N4O | Exact mass: 516.2279
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
517
MW
2
HBD
5.1
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 | 517.00 Da |
| TPSA | 61.3 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.12 |
| Fsp3 | 0.600 |
| Rotatable Bonds | 9 |
| Rings | 3 (2 aromatic) |
| QED | 0.453 |
| SA Score | 4.19 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H33ClF4N4O |
| Exact Mass | 516.2279 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |