EGF-07093 Red
CN1C(=O)CN(C(=O)OC(C)(C)C)C(C(=O)NCC#N)C1Cc1ccccc1
0.330
Platform Score
2D Structure
C20H26N4O4 | Exact mass: 386.1954
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
386
MW
1
HBD
1.3
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 | 386.50 Da |
| TPSA | 102.7 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 1.32 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 4 |
| Rings | 2 (1 aromatic) |
| QED | 0.786 |
| SA Score | 3.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H26N4O4 |
| Exact Mass | 386.1954 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |