EGF-05015 Red
COc1cc2c(cc1N(C)CCN(C)C)oc1cc(NS(=O)(=O)c3ccc(C)cc3)ccc12
0.298
Platform Score
2D Structure
C25H29N3O4S | Exact mass: 467.1879
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
468
MW
1
HBD
4.7
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 | 467.60 Da |
| TPSA | 75.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.70 |
| Fsp3 | 0.280 |
| Rotatable Bonds | 8 |
| Rings | 4 (4 aromatic) |
| QED | 0.405 |
| SA Score | 2.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H29N3O4S |
| Exact Mass | 467.1879 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |