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DocumentationIdentifier: MM369684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369684 |
| SMILES |
CC=C(F)C#CC#CCF
|
| InChIKey |
PBEFFFKLULEWHL-UHFFFAOYSA-N
|
| MW [Da] |
140.13
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369714
Similarity: 0.96
Similarity to MM369714
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9796 |
| Dice metric | 0.9796 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170952
Similarity: 0.9459
Similarity to MM170952
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369735
Similarity: 0.8765
Similarity to MM369735
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9342 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
