EGF-05108 Red
CC#CCn1c(N2CCCC(N)C2)nc2ncn(C(=O)NC(C)c3ccccc3)c(=O)c21
0.295
Platform Score
2D Structure
C23H27N7O2 | Exact mass: 433.2226
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
434
MW
2
HBD
1.9
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 | 433.50 Da |
| TPSA | 111.1 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 1.86 |
| Fsp3 | 0.391 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.608 |
| SA Score | 3.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H27N7O2 |
| Exact Mass | 433.2226 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |