EGF-05038 Red
CC12CCC(O)C=C1C=CC1C2CCC2(C)C1CC(O)C2(Cl)Cl
0.320
Platform Score
2D Structure
C19H26Cl2O2 | Exact mass: 356.131
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
40
TPSA
357
MW
2
HBD
4.2
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 | 357.30 Da |
| TPSA | 40.5 A^2 |
| HBD | 2 |
| HBA | 2 |
| SlogP | 4.23 |
| Fsp3 | 0.789 |
| Rotatable Bonds | 0 |
| Rings | 4 (0 aromatic) |
| QED | 0.637 |
| SA Score | 4.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H26Cl2O2 |
| Exact Mass | 356.131 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |