EGF-00069 LEAD Green
O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
0.735
Platform Score
2D Structure
C15H14BrNO4S | Exact mass: 382.9827
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
384
MW
1
HBD
2.7
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 | 384.30 Da |
| TPSA | 74.7 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 2.72 |
| Fsp3 | 0.133 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.831 |
| SA Score | 1.83 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H14BrNO4S |
| Exact Mass | 382.9827 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |