EGF-07038 Red
Cc1cc(NC(=O)N2CCC3C2c2cc(-c4cccnc4)ccc2N(C)C3CO)ccc1Cl
0.297
Platform Score
2D Structure
C26H27ClN4O2 | Exact mass: 462.1823
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
69
TPSA
463
MW
2
HBD
5.1
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 | 463.00 Da |
| TPSA | 68.7 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 5.12 |
| Fsp3 | 0.308 |
| Rotatable Bonds | 3 |
| Rings | 5 (3 aromatic) |
| QED | 0.567 |
| SA Score | 3.56 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H27ClN4O2 |
| Exact Mass | 462.1823 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |