EGF-04230 Red
CCON=C(C)C(CCN1CC2CN(c3nnc(C(=O)NCc4cc(C)no4)s3)CC2C1)C1CCN(C(C)=O)CC1
0.292
Platform Score
2D Structure
C28H42N8O4S | Exact mass: 586.305
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
129
TPSA
587
MW
1
HBD
2.8
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 | 586.80 Da |
| TPSA | 129.3 A^2 |
| HBD | 1 |
| HBA | 11 |
| SlogP | 2.81 |
| Fsp3 | 0.714 |
| Rotatable Bonds | 11 |
| Rings | 5 (2 aromatic) |
| QED | 0.312 |
| SA Score | 4.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H42N8O4S |
| Exact Mass | 586.305 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |