EGF-05981 Red
N=c1[nH]cc(-c2ccncc2)cc1-c1ccc(C(=O)NC(CN)c2cc(F)cc(Br)c2)c(F)c1
0.230
Platform Score
2D Structure
C25H20BrF2N5O | Exact mass: 523.0819
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
108
TPSA
524
MW
4
HBD
4.7
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 | 524.40 Da |
| TPSA | 107.6 A^2 |
| HBD | 4 |
| HBA | 4 |
| SlogP | 4.69 |
| Fsp3 | 0.080 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.294 |
| SA Score | 3.40 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H20BrF2N5O |
| Exact Mass | 523.0819 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |