EGF-05207 Red
O=C(NN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1cccc(-n2cnnn2)c1
0.295
Platform Score
2D Structure
C19H12N6O4S2 | Exact mass: 452.0361
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
112
TPSA
452
MW
1
HBD
1.9
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 | 452.50 Da |
| TPSA | 111.5 A^2 |
| HBD | 1 |
| HBA | 10 |
| SlogP | 1.94 |
| Fsp3 | 0.053 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.469 |
| SA Score | 2.69 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H12N6O4S2 |
| Exact Mass | 452.0361 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |