EGF-01135 Yellow
COc1cccc(CN2CC3(CCN(C(=O)c4csnn4)CC3)CC2=O)c1
0.547
Platform Score
2D Structure
C19H22N4O3S | Exact mass: 386.1413
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
386
MW
0
HBD
2.2
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 | 386.50 Da |
| TPSA | 75.6 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 2.20 |
| Fsp3 | 0.474 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.805 |
| SA Score | 3.10 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H22N4O3S |
| Exact Mass | 386.1413 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |