EGF-04960 Red
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c1C
0.321
Platform Score
2D Structure
C27H30FN3O5S | Exact mass: 527.189
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
528
MW
1
HBD
3.9
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 | 527.60 Da |
| TPSA | 99.9 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.92 |
| Fsp3 | 0.407 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.540 |
| SA Score | 2.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H30FN3O5S |
| Exact Mass | 527.189 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |