EGF-06501 Red
CCC(CO)NC(=O)c1ccc(-c2cnc3c(=NCC(C)C)[nH]c(C)cn23)cc1
0.327
Platform Score
2D Structure
C22H29N5O2 | Exact mass: 395.2321
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
396
MW
3
HBD
2.7
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 | 395.50 Da |
| TPSA | 94.8 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 2.70 |
| Fsp3 | 0.409 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.574 |
| SA Score | 3.52 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H29N5O2 |
| Exact Mass | 395.2321 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |