EGF-06726 Red
CC(C)c1nc(SC(C)C(O)(Cn2cncn2)c2cc(F)cc(F)c2)[nH]c1O
0.300
Platform Score
2D Structure
C18H21F2N5O2S | Exact mass: 409.1384
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
410
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 | 409.50 Da |
| TPSA | 99.9 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 3.18 |
| Fsp3 | 0.389 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.519 |
| SA Score | 4.10 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H21F2N5O2S |
| Exact Mass | 409.1384 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |