EGF-06833 Red
S=C(N=c1[nH]cccc1Br)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
0.353
Platform Score
2D Structure
C19H17BrClN5S | Exact mass: 461.0077
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
48
TPSA
463
MW
1
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 | 462.80 Da |
| TPSA | 47.5 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 3.99 |
| Fsp3 | 0.211 |
| Rotatable Bonds | 1 |
| Rings | 4 (3 aromatic) |
| QED | 0.556 |
| SA Score | 2.98 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H17BrClN5S |
| Exact Mass | 461.0077 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |