EGF-07331 Red
CC1(C)CC2(CC(C(=O)OCc3ccc(Cl)c(Cl)c3)C(C)(C)C2O)NC(=S)N1
0.285
Platform Score
2D Structure
C20H26Cl2N2O3S | Exact mass: 444.1041
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
445
MW
3
HBD
3.8
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 | 445.40 Da |
| TPSA | 70.6 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 3.83 |
| Fsp3 | 0.600 |
| Rotatable Bonds | 3 |
| Rings | 3 (1 aromatic) |
| QED | 0.486 |
| SA Score | 4.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H26Cl2N2O3S |
| Exact Mass | 444.1041 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |