EGF-02587 Red
Cc1nnc(SCC(=O)N=c2cc(C(C)(C)C)[nH]n2-c2ccc(F)cc2)n1-c1cccc(Cl)c1Cl
0.358
Platform Score
2D Structure
C24H23Cl2FN6OS | Exact mass: 532.1015
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
534
MW
1
HBD
5.7
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 | 533.50 Da |
| TPSA | 80.9 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.66 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 5 |
| Rings | 4 (4 aromatic) |
| QED | 0.336 |
| SA Score | 3.08 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H23Cl2FN6OS |
| Exact Mass | 532.1015 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |