EGF-01417 Green
CN(C1CCN(c2nc3c(s2)C(=O)CC(C)(C)C3)CC1)C1COC1
0.575
Platform Score
2D Structure
C18H27N3O2S | Exact mass: 349.1824
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
46
TPSA
350
MW
0
HBD
2.6
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 | 349.50 Da |
| TPSA | 45.7 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 2.60 |
| Fsp3 | 0.778 |
| Rotatable Bonds | 3 |
| Rings | 4 (1 aromatic) |
| QED | 0.839 |
| SA Score | 3.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H27N3O2S |
| Exact Mass | 349.1824 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |