EGF-03638 Red
CN1CCCC(C(=O)Nc2cccc(N=c3[nH]cc(F)c(=Nc4ccccc4S(=O)(=O)N4CCOCC4)[nH]3)c2)C1
0.338
Platform Score
2D Structure
C27H32FN7O4S | Exact mass: 569.2221
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
570
MW
3
HBD
2.2
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 | 569.70 Da |
| TPSA | 135.2 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 2.25 |
| Fsp3 | 0.370 |
| Rotatable Bonds | 6 |
| Rings | 5 (3 aromatic) |
| QED | 0.419 |
| SA Score | 3.80 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H32FN7O4S |
| Exact Mass | 569.2221 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |