EGF-06339 Red
CC(C)CC(NC(=O)OC(C)(C)C)c1[nH]nc(N(C)C)c1C(=O)N1Cc2ccccc2CC1CN1CCOCC1
0.282
Platform Score
2D Structure
C30H46N6O4 | Exact mass: 554.3581
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
555
MW
2
HBD
4.0
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 | 554.70 Da |
| TPSA | 103.0 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.99 |
| Fsp3 | 0.633 |
| Rotatable Bonds | 8 |
| Rings | 4 (2 aromatic) |
| QED | 0.509 |
| SA Score | 3.86 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H46N6O4 |
| Exact Mass | 554.3581 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |