EGF-04971 Red
C=CC(C)[N+]12CCC3(CC1)C(=O)CC(C)C2c1cc(O)ccc13
0.316
Platform Score
2D Structure
C20H26NO2+ | Exact mass: 312.1958
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
37
TPSA
312
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 | 312.40 Da |
| TPSA | 37.3 A^2 |
| HBD | 1 |
| HBA | 2 |
| SlogP | 3.48 |
| Fsp3 | 0.550 |
| Rotatable Bonds | 2 |
| Rings | 5 (1 aromatic) |
| QED | 0.670 |
| SA Score | 6.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H26NO2+ |
| Exact Mass | 312.1958 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |