EGF-06253 Red
O=C1OC(CCN2CCC(O)(c3ccccn3)CC2)(c2cccc(F)c2)CN1C(CN1CCCC1)c1ccc(F)cc1
0.249
Platform Score
2D Structure
C33H38F2N4O3 | Exact mass: 576.2912
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
69
TPSA
577
MW
1
HBD
5.2
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 | 576.70 Da |
| TPSA | 69.1 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.22 |
| Fsp3 | 0.455 |
| Rotatable Bonds | 9 |
| Rings | 6 (3 aromatic) |
| QED | 0.377 |
| SA Score | 3.85 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C33H38F2N4O3 |
| Exact Mass | 576.2912 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |