EGF-00733 Green
Cn1cnc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1
0.566
Platform Score
2D Structure
C15H16ClFN4O3S | Exact mass: 386.0616
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
387
MW
0
HBD
1.4
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 | 386.80 Da |
| TPSA | 75.5 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 1.36 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.798 |
| SA Score | 2.34 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H16ClFN4O3S |
| Exact Mass | 386.0616 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |