EGF-06463 Red
CCN1c2cc(OCCO)ccc2C2=CCCc3ccc(OC)cc3C21Cn1cc(C2(O)CCCC2)nn1
0.274
Platform Score
2D Structure
C30H36N4O4 | Exact mass: 516.2737
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
517
MW
2
HBD
4.2
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 | 516.60 Da |
| TPSA | 92.9 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 4.18 |
| Fsp3 | 0.467 |
| Rotatable Bonds | 8 |
| Rings | 6 (3 aromatic) |
| QED | 0.464 |
| SA Score | 3.90 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H36N4O4 |
| Exact Mass | 516.2737 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |