EGF-00546 Green
O=C(O)C1CCN(C2=NOC3(CCN(Cc4ccc(Cl)cc4Cl)C3)C2)CC1
0.588
Platform Score
2D Structure
C19H23Cl2N3O3 | Exact mass: 411.1116
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
65
TPSA
412
MW
1
HBD
3.5
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 | 412.30 Da |
| TPSA | 65.4 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 3.47 |
| Fsp3 | 0.579 |
| Rotatable Bonds | 3 |
| Rings | 4 (1 aromatic) |
| QED | 0.824 |
| SA Score | 3.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H23Cl2N3O3 |
| Exact Mass | 411.1116 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |