EGF-03162 Red
COc1ccc(C=NNC(=O)c2cc(C(C)(C)C)n(CC(=O)NN)n2)cc1
0.334
Platform Score
2D Structure
C18H24N6O3 | Exact mass: 372.191
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
124
TPSA
372
MW
3
HBD
0.9
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 | 372.40 Da |
| TPSA | 123.6 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 0.94 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.301 |
| SA Score | 2.56 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H24N6O3 |
| Exact Mass | 372.191 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |