EGF-05121 Red
O=C(O)C(O)c1ccc(OCCCc2ccc(N3C(=O)CNCC3C(=O)NCc3ccc(Cl)cc3)cc2)cc1
0.253
Platform Score
2D Structure
C29H30ClN3O6 | Exact mass: 551.1823
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
128
TPSA
552
MW
4
HBD
3.1
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 | 552.00 Da |
| TPSA | 128.2 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 3.09 |
| Fsp3 | 0.276 |
| Rotatable Bonds | 11 |
| Rings | 4 (3 aromatic) |
| QED | 0.270 |
| SA Score | 3.29 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H30ClN3O6 |
| Exact Mass | 551.1823 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |