EGF-01395 Green

COc1cccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c1
0.583
Platform Score
2D Structure
EGF-01395
C20H22N4O2S | Exact mass: 382.1463
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
58
TPSA
382
MW
1
HBD
3.1
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (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 Weight382.50 Da
TPSA57.7 A^2
HBD1
HBA6
SlogP3.07
Fsp30.300
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.735
SA Score1.93 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H22N4O2S
Exact Mass382.1463
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes