EGF-06468 Red
CC1=NC(=S)NC(c2ccc(-c3ccsc3)nc2)C1C(=O)NS(=O)(=O)c1ccc(C)cc1
0.303
Platform Score
2D Structure
C22H20N4O3S3 | Exact mass: 484.0698
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
485
MW
2
HBD
3.6
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 | 484.60 Da |
| TPSA | 100.5 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.63 |
| Fsp3 | 0.182 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.537 |
| SA Score | 3.66 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H20N4O3S3 |
| Exact Mass | 484.0698 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |