EGF-06756 Red
O=S(=O)(O)Nc1ccc2[nH]c3c(-c4ccccc4)nn(-c4cccc(Br)c4)c3c2c1
0.246
Platform Score
2D Structure
C21H15BrN4O3S | Exact mass: 482.0048
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
483
MW
3
HBD
5.2
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 | 483.30 Da |
| TPSA | 100.0 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 5.15 |
| Fsp3 | - |
| Rotatable Bonds | 4 |
| Rings | 5 (5 aromatic) |
| QED | 0.308 |
| SA Score | 2.60 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H15BrN4O3S |
| Exact Mass | 482.0048 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |