EGF-05933 Red
CC(=NN=C(N)N)c1ccc(NC(=O)CC[n+]2ccccc2)cc1
0.245
Platform Score
2D Structure
C17H21N6O+ | Exact mass: 325.1771
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
325
MW
3
HBD
1.0
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 | 325.40 Da |
| TPSA | 109.7 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 1.00 |
| Fsp3 | 0.176 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.319 |
| SA Score | 2.61 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H21N6O+ |
| Exact Mass | 325.1771 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |