EGF-02099 Red
O=C(Nc1cc(F)cc(Oc2ncnc3c2ccn3CCO)c1)Nc1ccc(Br)c(C(F)(F)F)c1
0.346
Platform Score
2D Structure
C22H16BrF4N5O3 | Exact mass: 553.0373
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
554
MW
3
HBD
5.8
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 | 554.30 Da |
| TPSA | 101.3 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 5.78 |
| Fsp3 | 0.136 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.263 |
| SA Score | 2.79 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H16BrF4N5O3 |
| Exact Mass | 553.0373 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |