EGF-05304 Red
Cc1cc(C)nc(Sc2nnc(C=Cc3cccc(NC(=O)C(Cl)Cl)c3)n2-c2ccccc2)n1
0.225
Platform Score
2D Structure
C24H20Cl2N6OS | Exact mass: 510.0796
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
511
MW
1
HBD
5.7
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 | 511.40 Da |
| TPSA | 85.6 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 5.74 |
| Fsp3 | 0.125 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.252 |
| SA Score | 2.83 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H20Cl2N6OS |
| Exact Mass | 510.0796 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |