EGF-06681 Red
COc1cc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2cc1OC
0.299
Platform Score
2D Structure
C20H21N3O6S | Exact mass: 431.1151
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
432
MW
2
HBD
1.1
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 | 431.50 Da |
| TPSA | 129.7 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 1.13 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.602 |
| SA Score | 2.29 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H21N3O6S |
| Exact Mass | 431.1151 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |