EGF-00992 Yellow
CN(C)CCCN(C(=O)Cn1cc(Br)ccc1=O)c1nc2ccccc2s1
0.548
Platform Score
2D Structure
C19H21BrN4O2S | Exact mass: 448.0569
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
58
TPSA
449
MW
0
HBD
3.2
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 | 449.40 Da |
| TPSA | 58.4 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 3.21 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.556 |
| SA Score | 2.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H21BrN4O2S |
| Exact Mass | 448.0569 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |