EGF-07134 Red
CCCCN(CCCC)C(=O)c1cc2c(cn1)c(Cc1cnc(=O)n(C)c1)cn2CCCN=c1nc(C)[nH]c(OC)n1
0.226
Platform Score
2D Structure
C30H41N9O3 | Exact mass: 575.3332
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
136
TPSA
576
MW
1
HBD
3.2
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 | 575.70 Da |
| TPSA | 136.2 A^2 |
| HBD | 1 |
| HBA | 10 |
| SlogP | 3.19 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 14 |
| Rings | 4 (4 aromatic) |
| QED | 0.228 |
| SA Score | 3.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H41N9O3 |
| Exact Mass | 575.3332 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |