EGF-05203 Red
CC(N=c1[nH]cnc2ccccc12)c1cc2ccc(Cl)cc2c(=O)n1C1CCCCC1
0.268
Platform Score
2D Structure
C25H25ClN4O | Exact mass: 432.1717
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
63
TPSA
433
MW
1
HBD
5.7
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 | 433.00 Da |
| TPSA | 63.0 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.70 |
| Fsp3 | 0.320 |
| Rotatable Bonds | 3 |
| Rings | 5 (4 aromatic) |
| QED | 0.451 |
| SA Score | 3.41 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H25ClN4O |
| Exact Mass | 432.1717 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |