EGF-05424 Red
CN1CCN(CCCn2c(=O)n(-c3ccc4c(c3)OCO4)c(=O)c3c4c(sc32)CCCC4)CC1
0.356
Platform Score
2D Structure
C25H30N4O4S | Exact mass: 482.1988
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
69
TPSA
483
MW
0
HBD
2.5
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 | 482.60 Da |
| TPSA | 68.9 A^2 |
| HBD | 0 |
| HBA | 9 |
| SlogP | 2.46 |
| Fsp3 | 0.520 |
| Rotatable Bonds | 5 |
| Rings | 6 (3 aromatic) |
| QED | 0.557 |
| SA Score | 2.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H30N4O4S |
| Exact Mass | 482.1988 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |