EGF-00345 Green
CCc1n[nH]c(=NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1
0.594
Platform Score
2D Structure
C15H16Cl2N4O3S2 | Exact mass: 434.0041
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
435
MW
1
HBD
2.6
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 | 435.40 Da |
| TPSA | 95.5 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 2.62 |
| Fsp3 | 0.400 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.799 |
| SA Score | 3.43 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H16Cl2N4O3S2 |
| Exact Mass | 434.0041 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |