EGF-04910 Red
Cc1cc(O)cc(C)c1CC(N)C(=O)NC(c1ccccc1)C1(C)Cc2[nH]c(=S)n(-c3ccccc3)c(=O)c2CN1
0.198
Platform Score
2D Structure
C32H35N5O3S | Exact mass: 569.2461
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
125
TPSA
570
MW
5
HBD
4.0
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 | 569.70 Da |
| TPSA | 125.2 A^2 |
| HBD | 5 |
| HBA | 7 |
| SlogP | 4.05 |
| Fsp3 | 0.281 |
| Rotatable Bonds | 7 |
| Rings | 5 (4 aromatic) |
| QED | 0.214 |
| SA Score | 4.16 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C32H35N5O3S |
| Exact Mass | 569.2461 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |