EGF-07294 Red
COc1cccc(OC(C)c2cc(F)c3cnn(-c4ccc(F)c(Cl)c4)c3c2)c1N=c1[nH][nH]c(=N)s1
0.193
Platform Score
2D Structure
C24H19ClF2N6O2S | Exact mass: 528.0947
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
529
MW
3
HBD
5.5
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 | 529.00 Da |
| TPSA | 104.1 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 5.54 |
| Fsp3 | 0.125 |
| Rotatable Bonds | 6 |
| Rings | 5 (5 aromatic) |
| QED | 0.270 |
| SA Score | 3.92 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H19ClF2N6O2S |
| Exact Mass | 528.0947 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |