EGF-05017 Red
Cc1[nH]c2cc(Cl)ccc2c1CCOc1cc(O)c2c(c1)OC(CC(=O)O)CC2
0.299
Platform Score
2D Structure
C22H22ClNO5 | Exact mass: 415.1187
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
416
MW
3
HBD
4.6
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 | 415.90 Da |
| TPSA | 91.8 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 4.63 |
| Fsp3 | 0.318 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.546 |
| SA Score | 3.15 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H22ClNO5 |
| Exact Mass | 415.1187 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |