EGF-07394 Red
O=C(Nc1ccc(CCNCC(O)c2cccnc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl
0.233
Platform Score
2D Structure
C22H21Cl3N4O2 | Exact mass: 478.073
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
480
MW
4
HBD
5.5
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 | 479.80 Da |
| TPSA | 86.3 A^2 |
| HBD | 4 |
| HBA | 4 |
| SlogP | 5.55 |
| Fsp3 | 0.182 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.252 |
| SA Score | 2.68 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H21Cl3N4O2 |
| Exact Mass | 478.073 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |