EGF-07338 Red
CCOC(=O)Nc1cccc(NC(=O)CN(C)CCCN=c2cc[nH]c3cc(Cl)ccc23)c1
0.286
Platform Score
2D Structure
C24H28ClN5O3 | Exact mass: 469.1881
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
470
MW
3
HBD
4.2
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 | 470.00 Da |
| TPSA | 98.8 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 4.25 |
| Fsp3 | 0.292 |
| Rotatable Bonds | 9 |
| Rings | 3 (3 aromatic) |
| QED | 0.408 |
| SA Score | 2.74 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H28ClN5O3 |
| Exact Mass | 469.1881 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |