EGF-07002 Red
Clc1ccc2nc(SSc3nc4c(s3)CCC4)sc2c1
0.330
Platform Score
2D Structure
C13H9ClN2S4 | Exact mass: 355.9337
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
26
TPSA
357
MW
0
HBD
5.7
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 | 357.00 Da |
| TPSA | 25.8 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.69 |
| Fsp3 | 0.231 |
| Rotatable Bonds | 3 |
| Rings | 4 (3 aromatic) |
| QED | 0.562 |
| SA Score | 2.86 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H9ClN2S4 |
| Exact Mass | 355.9337 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |