EGF-06294 Red
O=S(=O)(N=c1nco[nH]1)c1ccc2c(-c3ccc(Br)cc3F)noc2c1F
0.302
Platform Score
2D Structure
C15H7BrF2N4O4S | Exact mass: 455.9339
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
114
TPSA
457
MW
1
HBD
3.1
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 | 457.20 Da |
| TPSA | 114.3 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.14 |
| Fsp3 | - |
| Rotatable Bonds | 3 |
| Rings | 4 (4 aromatic) |
| QED | 0.506 |
| SA Score | 3.56 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H7BrF2N4O4S |
| Exact Mass | 455.9339 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |