EGF-07125 Red
COc1ccc(CNC(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)c4ccc(Cl)cc4)cc3c2=O)cc1
0.294
Platform Score
2D Structure
C25H22ClN3O5S | Exact mass: 511.0969
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
512
MW
2
HBD
4.0
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 | 512.00 Da |
| TPSA | 108.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.95 |
| Fsp3 | 0.120 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.390 |
| SA Score | 2.30 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H22ClN3O5S |
| Exact Mass | 511.0969 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |