EGF-03819 Red
COc1cccc(Sc2cc(=Nc3ccc(C(=O)NCCN4CCCC4)cc3OC)[nH]cc2C(F)(F)F)c1
0.347
Platform Score
2D Structure
C27H29F3N4O3S | Exact mass: 546.1912
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
79
TPSA
547
MW
2
HBD
5.3
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 | 546.60 Da |
| TPSA | 78.9 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 5.26 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 9 |
| Rings | 4 (3 aromatic) |
| QED | 0.383 |
| SA Score | 3.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H29F3N4O3S |
| Exact Mass | 546.1912 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |