EGF-06358 Red
N#Cc1cc(N)cc(Oc2ccc3c(ccn3C(=O)N=c3cc(C4CC4)o[nH]3)c2)c1
0.271
Platform Score
2D Structure
C22H17N5O3 | Exact mass: 399.1331
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
399
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 | 399.40 Da |
| TPSA | 122.3 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.25 |
| Fsp3 | 0.136 |
| Rotatable Bonds | 3 |
| Rings | 5 (4 aromatic) |
| QED | 0.499 |
| SA Score | 3.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H17N5O3 |
| Exact Mass | 399.1331 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |