EGF-06697 Red
O=C1C(=Nn2c(Cc3ccccc3S(=O)(=O)c3ccccc3)n[nH]c2=S)c2cc(Cl)c(Cl)cc2N1Cl
0.214
Platform Score
2D Structure
C23H14Cl3N5O3S2 | Exact mass: 576.9604
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
579
MW
1
HBD
5.4
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 | 578.90 Da |
| TPSA | 100.4 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 5.42 |
| Fsp3 | 0.043 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.252 |
| SA Score | 3.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H14Cl3N5O3S2 |
| Exact Mass | 576.9604 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |