EGF-05468 Red
COc1ccc(OC)c(S(=O)(=O)N(C)C2(C(=O)NC3C4CC5CC3CC(O)(C5)C4)CC2)c1
0.282
Platform Score
2D Structure
C23H32N2O6S | Exact mass: 464.1981
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
465
MW
2
HBD
1.9
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 | 464.60 Da |
| TPSA | 105.2 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 1.91 |
| Fsp3 | 0.696 |
| Rotatable Bonds | 7 |
| Rings | 6 (1 aromatic) |
| QED | 0.639 |
| SA Score | 4.75 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H32N2O6S |
| Exact Mass | 464.1981 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |