EGF-05046 Red
CC1C(CN2CCC(N(C)C)C2)CNc2c(C(N)=O)c(-c3ccc(C(=O)NCC#N)cc3)nn21
0.236
Platform Score
2D Structure
C24H32N8O2 | Exact mass: 464.2648
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
465
MW
3
HBD
1.1
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 | 464.60 Da |
| TPSA | 132.3 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 1.14 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 7 |
| Rings | 4 (2 aromatic) |
| QED | 0.524 |
| SA Score | 4.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H32N8O2 |
| Exact Mass | 464.2648 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |