EGF-05940 Red
CN(C)C(=O)c1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNCC(O)c4cccnc4)cc3)cc2)n1
0.249
Platform Score
2D Structure
C27H30N6O4S | Exact mass: 534.2049
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
129
TPSA
535
MW
3
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 | 534.60 Da |
| TPSA | 129.4 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 2.64 |
| Fsp3 | 0.222 |
| Rotatable Bonds | 11 |
| Rings | 4 (4 aromatic) |
| QED | 0.252 |
| SA Score | 3.00 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H30N6O4S |
| Exact Mass | 534.2049 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |