EGF-06951 Red
COc1cc2nccc(Oc3ccc4[nH]nc(NC5CCN(S(=O)(=O)CCCN(C)C)CC5)c4c3)c2cc1OC
0.244
Platform Score
2D Structure
C28H36N6O5S | Exact mass: 568.2468
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
569
MW
2
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 | 568.70 Da |
| TPSA | 121.9 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 4.08 |
| Fsp3 | 0.429 |
| Rotatable Bonds | 11 |
| Rings | 5 (4 aromatic) |
| QED | 0.276 |
| SA Score | 2.87 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H36N6O5S |
| Exact Mass | 568.2468 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |