EGF-00440 Green
O=S(=O)(c1ccc(Cl)cn1)N1CCC2CN(Cc3cnn(-c4ccc(F)cc4)c3)CC21
0.563
Platform Score
2D Structure
C21H21ClFN5O2S | Exact mass: 461.1089
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
462
MW
0
HBD
3.0
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 | 462.00 Da |
| TPSA | 71.3 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 2.95 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.584 |
| SA Score | 3.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H21ClFN5O2S |
| Exact Mass | 461.1089 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |