EGF-04203 Red
CS(=O)(=O)N1CCN(c2ccc(N=c3nc4c(c[nH]3)CN(C(=O)Nc3ccc(Cl)c(Cl)c3)C4)cc2Cl)CC1
0.341
Platform Score
2D Structure
C24H24Cl3N7O3S | Exact mass: 595.0727
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
114
TPSA
597
MW
2
HBD
4.2
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 | 596.90 Da |
| TPSA | 114.0 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.23 |
| Fsp3 | 0.292 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.468 |
| SA Score | 3.14 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H24Cl3N7O3S |
| Exact Mass | 595.0727 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |