EGF-00111 Green
O=S(=O)(NCCc1nc[nH]n1)c1ccc(COc2ccc(Cl)cc2Cl)cc1
0.631
Platform Score
2D Structure
C17H16Cl2N4O3S | Exact mass: 426.032
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
427
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 | 427.30 Da |
| TPSA | 97.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.21 |
| Fsp3 | 0.176 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.576 |
| SA Score | 2.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H16Cl2N4O3S |
| Exact Mass | 426.032 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |