EGF-03551 Red
Cc1nc(N2CCN(C(=O)c3ccoc3)CC2)c2nc(C(C)n3cnnn3)sc2n1
0.353
Platform Score
2D Structure
C18H19N9O2S | Exact mass: 425.1382
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
119
TPSA
426
MW
0
HBD
1.6
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 | 425.50 Da |
| TPSA | 119.0 A^2 |
| HBD | 0 |
| HBA | 11 |
| SlogP | 1.55 |
| Fsp3 | 0.389 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.479 |
| SA Score | 3.54 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H19N9O2S |
| Exact Mass | 425.1382 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |