EGF-00772 Green
CCOc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)ccc1Cl
0.605
Platform Score
2D Structure
C15H14ClNO5S | Exact mass: 355.0281
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
356
MW
2
HBD
3.2
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 | 355.80 Da |
| TPSA | 92.7 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.24 |
| Fsp3 | 0.133 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.829 |
| SA Score | 1.85 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H14ClNO5S |
| Exact Mass | 355.0281 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |