EGF-06970 Red
COc1cc(C=Cc2cnc(-c3ccn(CCO)n3)c(OC)n2)cc(OC)c1OC
0.335
Platform Score
2D Structure
C21H24N4O5 | Exact mass: 412.1747
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
412
MW
1
HBD
2.5
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 | 412.40 Da |
| TPSA | 100.8 A^2 |
| HBD | 1 |
| HBA | 9 |
| SlogP | 2.54 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 9 |
| Rings | 3 (3 aromatic) |
| QED | 0.572 |
| SA Score | 2.83 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H24N4O5 |
| Exact Mass | 412.1747 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |