EGF-00665 Green
O=C1CC(c2cn(Cc3cccnc3)nn2)CN1Cc1cccc(Cl)c1F
0.577
Platform Score
2D Structure
C19H17ClFN5O | Exact mass: 385.1106
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
386
MW
0
HBD
3.0
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 | 385.80 Da |
| TPSA | 63.9 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 3.03 |
| Fsp3 | 0.263 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.677 |
| SA Score | 3.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H17ClFN5O |
| Exact Mass | 385.1106 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |