EGF-05129 Red
COC(=O)c1cc(-c2ccc(F)cc2)nc(SCc2cn3c(=O)n(CCN(C)C)c(=O)c4cccc2c43)n1
0.258
Platform Score
2D Structure
C27H24FN5O4S | Exact mass: 533.1533
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
534
MW
0
HBD
3.3
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 | 533.60 Da |
| TPSA | 98.8 A^2 |
| HBD | 0 |
| HBA | 10 |
| SlogP | 3.29 |
| Fsp3 | 0.222 |
| Rotatable Bonds | 8 |
| Rings | 5 (5 aromatic) |
| QED | 0.170 |
| SA Score | 2.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H24FN5O4S |
| Exact Mass | 533.1533 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |