EGF-06182 Red
CCn1cc(C(=O)NOC)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)c(OC)c21
0.303
Platform Score
2D Structure
C24H26BrFN4O6S | Exact mass: 596.074
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
598
MW
1
HBD
2.7
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 | 597.50 Da |
| TPSA | 110.2 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 2.73 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 7 |
| Rings | 4 (3 aromatic) |
| QED | 0.418 |
| SA Score | 2.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H26BrFN4O6S |
| Exact Mass | 596.074 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |