EGF-05182 Red
O=C(O)c1c[nH]c(CN(CC=Cc2ccc(COc3ccccc3)cc2)C2CCCc3cccnc32)n1
0.217
Platform Score
2D Structure
C30H30N4O3 | Exact mass: 494.2318
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
495
MW
2
HBD
5.7
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 | 494.60 Da |
| TPSA | 91.3 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.67 |
| Fsp3 | 0.233 |
| Rotatable Bonds | 10 |
| Rings | 5 (4 aromatic) |
| QED | 0.295 |
| SA Score | 3.41 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H30N4O3 |
| Exact Mass | 494.2318 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |