EGF-06046 Red
COc1ccc2[nH]cc(C(N)=O)c(=Nc3ccc(=NC(=O)C4(C)CC4)[nH]c3)c2c1
0.299
Platform Score
2D Structure
C21H21N5O3 | Exact mass: 391.1644
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
391
MW
3
HBD
2.1
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 | 391.40 Da |
| TPSA | 125.7 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 2.06 |
| Fsp3 | 0.238 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.630 |
| SA Score | 3.53 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H21N5O3 |
| Exact Mass | 391.1644 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |