EGF-04014 Red
O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cnn1-c1cc(Cl)ccc1Cl
0.354
Platform Score
2D Structure
C24H24Cl3N5O4S | Exact mass: 583.0615
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
585
MW
0
HBD
4.4
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 | 584.90 Da |
| TPSA | 97.6 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 4.42 |
| Fsp3 | 0.375 |
| Rotatable Bonds | 6 |
| Rings | 5 (3 aromatic) |
| QED | 0.396 |
| SA Score | 2.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H24Cl3N5O4S |
| Exact Mass | 583.0615 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |