EGF-04883 Red
c1ccc2c(c1)Cn1c(nc3ccc(-c4ccncc4)nc31)CC1(CCCC1)N2
0.308
Platform Score
2D Structure
C24H23N5 | Exact mass: 381.1953
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
56
TPSA
382
MW
1
HBD
4.8
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 | 381.50 Da |
| TPSA | 55.6 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.82 |
| Fsp3 | 0.292 |
| Rotatable Bonds | 1 |
| Rings | 6 (4 aromatic) |
| QED | 0.513 |
| SA Score | 3.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H23N5 |
| Exact Mass | 381.1953 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |