EGF-00651 Green
c1cc2[nH]c(-c3ccc(N4CCOCC4)s3)nc2cc1N1CCC(N2CCCC2)CC1
0.567
Platform Score
2D Structure
C24H31N5OS | Exact mass: 437.2249
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
48
TPSA
438
MW
1
HBD
4.2
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 | 437.60 Da |
| TPSA | 47.6 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.19 |
| Fsp3 | 0.542 |
| Rotatable Bonds | 4 |
| Rings | 6 (3 aromatic) |
| QED | 0.663 |
| SA Score | 2.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H31N5OS |
| Exact Mass | 437.2249 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |