EGF-05423 Red
COc1ccc2c3c1OC1C(OC4OCCC(O)C4O)CCC4(O)C(CC2)N(CC2CC2)CCC314
0.234
Platform Score
2D Structure
C27H37NO7 | Exact mass: 487.257
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
488
MW
3
HBD
1.5
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 | 487.60 Da |
| TPSA | 100.9 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 1.50 |
| Fsp3 | 0.778 |
| Rotatable Bonds | 5 |
| Rings | 7 (1 aromatic) |
| QED | 0.575 |
| SA Score | 5.87 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H37NO7 |
| Exact Mass | 487.257 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |