EGF-04839 Red
CCCc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(N)cc3)cc2)cc1
0.268
Platform Score
2D Structure
C24H23N3O3 | Exact mass: 401.1739
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
402
MW
2
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 | 401.50 Da |
| TPSA | 93.8 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.20 |
| Fsp3 | 0.125 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.204 |
| SA Score | 2.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H23N3O3 |
| Exact Mass | 401.1739 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |