EGF-04289 Red
O=C(N=c1[nH]nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1)c1ccccc1Cl
0.350
Platform Score
2D Structure
C20H17ClF3N5O5S3 | Exact mass: 595.0032
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
133
TPSA
596
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 | 596.00 Da |
| TPSA | 132.9 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 2.58 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.482 |
| SA Score | 2.98 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17ClF3N5O5S3 |
| Exact Mass | 595.0032 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |