EGF-00065 Green
Clc1cncc(Cl)c1CN1CC=C(c2nc3cc(Br)cnc3[nH]2)CC1
0.644
Platform Score
2D Structure
C17H14BrCl2N5 | Exact mass: 436.981
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
58
TPSA
439
MW
1
HBD
4.7
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 | 439.10 Da |
| TPSA | 57.7 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.71 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 3 |
| Rings | 4 (3 aromatic) |
| QED | 0.643 |
| SA Score | 3.02 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H14BrCl2N5 |
| Exact Mass | 436.981 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |