EGF-06355 Red
O=C(O)c1ccc(N(Cc2ccc(Br)s2)C(=O)Cc2ccccc2)cc1O
0.335
Platform Score
2D Structure
C20H16BrNO4S | Exact mass: 444.9983
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
446
MW
2
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 | 446.30 Da |
| TPSA | 77.8 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 4.69 |
| Fsp3 | 0.100 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.576 |
| SA Score | 2.28 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H16BrNO4S |
| Exact Mass | 444.9983 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |