EGF-07156 Red
CC12C(=O)CC(=NN=C(N)N)C1C(=O)N(c1nc(-c3ccc(Cl)cc3)cs1)C2c1cccs1
0.221
Platform Score
2D Structure
C22H19ClN6O2S2 | Exact mass: 498.0699
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
499
MW
2
HBD
3.8
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 | 499.00 Da |
| TPSA | 127.0 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.84 |
| Fsp3 | 0.227 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.321 |
| SA Score | 4.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H19ClN6O2S2 |
| Exact Mass | 498.0699 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |