EGF-06201 Red
N=c1nc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)[nH]c(C(Cl)(Cl)Cl)n1
0.303
Platform Score
2D Structure
C19H14Cl3FN6 | Exact mass: 450.033
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
452
MW
2
HBD
4.6
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 | 451.70 Da |
| TPSA | 81.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.61 |
| Fsp3 | 0.158 |
| Rotatable Bonds | 3 |
| Rings | 4 (3 aromatic) |
| QED | 0.571 |
| SA Score | 3.54 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H14Cl3FN6 |
| Exact Mass | 450.033 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |