EGF-00574 Green
c1cc(CN2CC3CCN(c4cncnc4)CC(C2)O3)ccn1
0.560
Platform Score
2D Structure
C17H21N5O | Exact mass: 311.1746
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
311
MW
0
HBD
1.4
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 | 311.40 Da |
| TPSA | 54.4 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 1.35 |
| Fsp3 | 0.471 |
| Rotatable Bonds | 3 |
| Rings | 4 (2 aromatic) |
| QED | 0.853 |
| SA Score | 4.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H21N5O |
| Exact Mass | 311.1746 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |