EGF-03891 Red
COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccc(C(=O)O)cc2)cc1
0.340
Platform Score
2D Structure
C24H21N3O5S2 | Exact mass: 495.0923
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
496
MW
2
HBD
4.5
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 | 495.60 Da |
| TPSA | 110.5 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 4.50 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.287 |
| SA Score | 2.23 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H21N3O5S2 |
| Exact Mass | 495.0923 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |