EGF-05247 Red
CC1C(=O)OC2(S(=O)(=O)C=CC(=O)O)C1CC1CC(C)(C)CC(=O)C12
0.253
Platform Score
2D Structure
C17H22O7S | Exact mass: 370.1086
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
370
MW
1
HBD
1.5
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 | 370.40 Da |
| TPSA | 114.8 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 1.53 |
| Fsp3 | 0.706 |
| Rotatable Bonds | 3 |
| Rings | 3 (0 aromatic) |
| QED | 0.592 |
| SA Score | 4.88 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H22O7S |
| Exact Mass | 370.1086 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |