EGF-06657 Red
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
0.277
Platform Score
2D Structure
C15H10O7 | Exact mass: 302.0427
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
131
TPSA
302
MW
5
HBD
2.0
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 | 302.20 Da |
| TPSA | 131.4 A^2 |
| HBD | 5 |
| HBA | 7 |
| SlogP | 1.99 |
| Fsp3 | - |
| Rotatable Bonds | 1 |
| Rings | 3 (3 aromatic) |
| QED | 0.434 |
| SA Score | 2.62 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H10O7 |
| Exact Mass | 302.0427 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |