EGF-07327 Red
CC(=O)N=c1[nH]c2c(Oc3cc(-c4cc(Cl)cc(C#N)c4Br)nc(F)n3)cccc2s1
0.228
Platform Score
2D Structure
C20H10BrClFN5O2S | Exact mass: 516.9411
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
519
MW
1
HBD
5.3
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 | 518.80 Da |
| TPSA | 104.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.35 |
| Fsp3 | 0.050 |
| Rotatable Bonds | 3 |
| Rings | 4 (4 aromatic) |
| QED | 0.368 |
| SA Score | 3.50 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H10BrClFN5O2S |
| Exact Mass | 516.9411 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |