EGF-07105 Red
COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)sc2c(OC)cccc12
0.364
Platform Score
2D Structure
C23H26ClN3O3S | Exact mass: 459.1383
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
460
MW
1
HBD
4.1
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 | 460.00 Da |
| TPSA | 54.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.12 |
| Fsp3 | 0.348 |
| Rotatable Bonds | 7 |
| Rings | 4 (3 aromatic) |
| QED | 0.576 |
| SA Score | 2.37 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H26ClN3O3S |
| Exact Mass | 459.1383 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |