EGF-01102 Yellow
CC(Cn1cncn1)NC(=O)NCc1cccnc1N(C)C
0.529
Platform Score
2D Structure
C14H21N7O | Exact mass: 303.1808
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
88
TPSA
303
MW
2
HBD
0.6
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 | 303.40 Da |
| TPSA | 88.0 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 0.63 |
| Fsp3 | 0.429 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.817 |
| SA Score | 2.96 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H21N7O |
| Exact Mass | 303.1808 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | 4-Aminoquinazoline Hinge |
| InChIKey | - |
| Filter Pass | Yes |