EGF-06021 Red
O=C(NCC1CCCN1)c1nn(-c2ccc(F)c(Cl)c2)c2c1CCCC2=Cc1n[nH]c(=O)s1
0.305
Platform Score
2D Structure
C22H22ClFN6O2S | Exact mass: 488.1198
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
489
MW
3
HBD
3.2
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 | 489.00 Da |
| TPSA | 104.7 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 3.17 |
| Fsp3 | 0.364 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.511 |
| SA Score | 3.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H22ClFN6O2S |
| Exact Mass | 488.1198 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |