EGF-00221 Yellow
CN(C)Cc1cc(N=c2[nH]c3ncc(-c4cnn(C(N)=S)c4)cc3s2)ccn1
0.536
Platform Score
2D Structure
C18H18N8S2 | Exact mass: 410.1096
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
410
MW
2
HBD
2.3
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 | 410.50 Da |
| TPSA | 101.0 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 2.27 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.501 |
| SA Score | 3.65 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H18N8S2 |
| Exact Mass | 410.1096 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |