EGF-05977 Red
COc1ccc(C=C2SC(N3N=C(c4ccc(OC)c(OC)c4)CC3c3ccc(OC)cc3)=NC2=O)cc1
0.253
Platform Score
2D Structure
C29H27N3O5S | Exact mass: 529.1671
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
530
MW
0
HBD
5.5
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 | 529.60 Da |
| TPSA | 82.0 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 5.54 |
| Fsp3 | 0.207 |
| Rotatable Bonds | 7 |
| Rings | 5 (3 aromatic) |
| QED | 0.372 |
| SA Score | 2.99 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H27N3O5S |
| Exact Mass | 529.1671 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |