EGF-06096 Red
CCn1cc(C(=O)N=c2[nH]nc(C34CC5CC(CC(C5)C3)C4)s2)c(=O)c2ccccc21
0.320
Platform Score
2D Structure
C24H26N4O2S | Exact mass: 434.1776
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
80
TPSA
435
MW
1
HBD
4.0
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 | 434.60 Da |
| TPSA | 80.1 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.01 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 3 |
| Rings | 7 (3 aromatic) |
| QED | 0.676 |
| SA Score | 4.30 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H26N4O2S |
| Exact Mass | 434.1776 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |