EGF-00211 Green
CN(C)CC(=O)N(C)c1nnc(S(=O)(=O)c2c(Cl)cccc2Cl)s1
0.610
Platform Score
2D Structure
C13H14Cl2N4O3S2 | Exact mass: 407.9884
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
409
MW
0
HBD
2.2
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 | 409.30 Da |
| TPSA | 83.5 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 2.20 |
| Fsp3 | 0.308 |
| Rotatable Bonds | 5 |
| Rings | 2 (2 aromatic) |
| QED | 0.705 |
| SA Score | 2.90 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H14Cl2N4O3S2 |
| Exact Mass | 407.9884 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |