EGF-03120 Red
COCCN=c1[nH]c(=NCC=C(C)C)[nH]cc1C(=O)NCCN1CCN(c2ccccc2)CC1
0.354
Platform Score
2D Structure
C25H37N7O2 | Exact mass: 467.3009
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
468
MW
3
HBD
1.3
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 | 467.60 Da |
| TPSA | 101.1 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 1.31 |
| Fsp3 | 0.480 |
| Rotatable Bonds | 10 |
| Rings | 3 (2 aromatic) |
| QED | 0.362 |
| SA Score | 3.29 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H37N7O2 |
| Exact Mass | 467.3009 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |