EGF-05763 Red
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)ccc1OC(=O)N(C)C
0.360
Platform Score
2D Structure
C20H19NO8 | Exact mass: 401.1111
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
119
TPSA
401
MW
2
HBD
3.0
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 | 401.40 Da |
| TPSA | 118.7 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 2.95 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.685 |
| SA Score | 2.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H19NO8 |
| Exact Mass | 401.1111 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |