EGF-01872 Red
C=CC(=O)NCc1ccc(F)c(N=c2[nH]c3cc(OCCOC)c(OCCOC)cc3n2C2CCCC2)c1Cl
0.354
Platform Score
2D Structure
C28H34ClFN4O5 | Exact mass: 560.2202
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
561
MW
2
HBD
5.0
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 | 561.10 Da |
| TPSA | 99.1 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 4.96 |
| Fsp3 | 0.429 |
| Rotatable Bonds | 13 |
| Rings | 4 (3 aromatic) |
| QED | 0.227 |
| SA Score | 3.32 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H34ClFN4O5 |
| Exact Mass | 560.2202 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |