EGF-06150 Red
CC(C)(C)NC(=O)C1(C)CC(O)C(N)C(OC(=O)C(O)(c2ccccn2)C2CCCCC2)C1
0.244
Platform Score
2D Structure
C25H39N3O5 | Exact mass: 461.289
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
462
MW
4
HBD
2.2
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 | 461.60 Da |
| TPSA | 134.8 A^2 |
| HBD | 4 |
| HBA | 7 |
| SlogP | 2.16 |
| Fsp3 | 0.720 |
| Rotatable Bonds | 5 |
| Rings | 3 (1 aromatic) |
| QED | 0.494 |
| SA Score | 4.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H39N3O5 |
| Exact Mass | 461.289 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |