EGF-00216 Green
CC1C(=O)NC(=O)C2(C)CN(CCc3ccn(CC(=O)O)c3)CCC12
0.551
Platform Score
2D Structure
C18H25N3O4 | Exact mass: 347.1845
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
347
MW
2
HBD
0.7
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 | 347.40 Da |
| TPSA | 91.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 0.74 |
| Fsp3 | 0.611 |
| Rotatable Bonds | 5 |
| Rings | 3 (1 aromatic) |
| QED | 0.767 |
| SA Score | 4.02 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H25N3O4 |
| Exact Mass | 347.1845 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |