EGF-05943 Red
O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)Cc1nnnn1Cc1ccc(Br)cc1)OCO3
0.272
Platform Score
2D Structure
C26H22BrN7O3 | Exact mass: 559.0967
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
560
MW
1
HBD
3.6
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 | 560.40 Da |
| TPSA | 111.1 A^2 |
| HBD | 1 |
| HBA | 9 |
| SlogP | 3.65 |
| Fsp3 | 0.192 |
| Rotatable Bonds | 8 |
| Rings | 6 (5 aromatic) |
| QED | 0.306 |
| SA Score | 2.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H22BrN7O3 |
| Exact Mass | 559.0967 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |