EGF-06245 Red
CN(C)c1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)c3cccnc3)cc2)cc1[N+](=O)[O-]
0.240
Platform Score
2D Structure
C23H27N5O5S | Exact mass: 485.1733
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
138
TPSA
486
MW
3
HBD
2.7
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 | 485.60 Da |
| TPSA | 137.7 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 2.72 |
| Fsp3 | 0.261 |
| Rotatable Bonds | 11 |
| Rings | 3 (3 aromatic) |
| QED | 0.214 |
| SA Score | 2.89 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H27N5O5S |
| Exact Mass | 485.1733 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |