EGF-07262 Red
O=C(NC1CN2CCC1CC2)c1ccc2c[nH]c(=Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)nc2c1
0.213
Platform Score
2D Structure
C28H25Cl2N5O2 | Exact mass: 533.1385
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
534
MW
2
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 | 534.40 Da |
| TPSA | 82.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.72 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 5 |
| Rings | 7 (4 aromatic) |
| QED | 0.343 |
| SA Score | 4.15 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H25Cl2N5O2 |
| Exact Mass | 533.1385 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |