EGF-05961 Red
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OCCCCBr)c(Cl)cc12
0.287
Platform Score
2D Structure
C19H16BrClO5 | Exact mass: 437.987
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
80
TPSA
440
MW
2
HBD
5.1
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 | 439.70 Da |
| TPSA | 79.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.08 |
| Fsp3 | 0.211 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.414 |
| SA Score | 2.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H16BrClO5 |
| Exact Mass | 437.987 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |