EGF-06117 Red
O=C(NCCCCN=c1cc[nH]c2cc(Cl)ccc12)c1cc(-c2ccc(Br)cc2)[nH]n1
0.253
Platform Score
2D Structure
C23H21BrClN5O | Exact mass: 497.0618
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
499
MW
3
HBD
5.1
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 | 498.80 Da |
| TPSA | 85.9 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 5.08 |
| Fsp3 | 0.174 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.310 |
| SA Score | 2.84 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H21BrClN5O |
| Exact Mass | 497.0618 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |