EGF-05267 Red
COc1ccc(CCN(C)C(=O)CN2CCCC3(N=C(c4ccc([N+](=O)[O-])cc4)C4CCCCC43)C2=O)cc1
0.236
Platform Score
2D Structure
C30H36N4O5 | Exact mass: 532.2686
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
533
MW
0
HBD
4.3
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 | 532.60 Da |
| TPSA | 105.3 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 4.27 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 8 |
| Rings | 5 (2 aromatic) |
| QED | 0.373 |
| SA Score | 4.28 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H36N4O5 |
| Exact Mass | 532.2686 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |