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Golden Fragment Library

1 800 compounds

The fragments set of most representative and diverse small molecules available from Enamine HTS Collection and building blocks. All the fragments passed through manual inspection and experimental solubility limit of 1mM. Strict structural filters with removing of abundant and trivial cores were applied to the final selection that is characterized by the following features:

  • Novelty: improved by Enamine building blocks collections that are continually being up dated with drug like structures occupying new chemical space.
  • Diversity: controlled on scaffold populating level, general diversity coefficient 90%.
  • Unique Character: unique chemotypes coming with Enamine’s longstanding and constantly evolving synthetic experience with implementation of latest research achievements.
  • Measured Solubility: all compounds included have a minimum solubility of 1mM in PBS buffer.
Parameter Range
MW 140 … 300
Hb Acceptors 0 … 3
Hb Donors 0 … 3
RotBonds 0 … 3
Heavy atoms 10 … 21  
(92.8 % <19 HA)
ClogP -0.5 … 3
Parameter Range
TPSA ≤ 100 Å²
Rings 1 … 4
Aromatic Rings ≤ 2
Fused Rings ≤ 3
N+O+S 1 … 6
Number of Hal 0 … 3
Chiral centers ≤ 2

Representative examples of fragment structures from Golden Fragment Library

Examples

Diverse groups of Bemis-Murcko loose frameworks represented in Golden Fragment Library

Group Number Examples
1 ring 39 ring 1
2 spirocycles or
isolated rings
640

 

2 bridged or
fused rings
142
3 or 4 rings
including spirocycles or
isolated rings
105
3 or 4 rings
including fused or
bridged ring systems
250

Molecular properties of Golden Fragment Library

Mol Weight ClogP
TPSA Fsp3


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