EGF-05511 Red
COc1ccc(C(c2ccc(OCC(O)CN3CCC(C)CC3)cc2)c2ccsc2)cc1
0.302
Platform Score
2D Structure
C27H33NO3S | Exact mass: 451.2181
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
42
TPSA
452
MW
1
HBD
5.4
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 | 451.60 Da |
| TPSA | 41.9 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.41 |
| Fsp3 | 0.407 |
| Rotatable Bonds | 9 |
| Rings | 4 (3 aromatic) |
| QED | 0.472 |
| SA Score | 3.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H33NO3S |
| Exact Mass | 451.2181 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |