EGF-05539 Red
CC(C)(Oc1ccc2ccc3ccccc3c2c1)C(=O)N=C(N)NCCc1c[nH]c2ccccc12
0.220
Platform Score
2D Structure
C29H28N4O2 | Exact mass: 464.2212
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
465
MW
3
HBD
5.3
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 | 464.60 Da |
| TPSA | 92.5 A^2 |
| HBD | 3 |
| HBA | 2 |
| SlogP | 5.31 |
| Fsp3 | 0.172 |
| Rotatable Bonds | 6 |
| Rings | 5 (5 aromatic) |
| QED | 0.180 |
| SA Score | 2.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H28N4O2 |
| Exact Mass | 464.2212 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |