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DocumentationIdentifier: MM158451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158451 |
| SMILES |
C#CCC(F)C#CCC
|
| InChIKey |
FSTWRDVDOPUXQN-UHFFFAOYSA-N
|
| MW [Da] |
124.16
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM359229
Similarity: 0.9692
Similarity to MM359229
| Tanimoto metric | 0.9692 |
|---|---|
| Cosine metric | 0.9845 |
| Dice metric | 0.9844 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282734
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| Tanimoto metric | 0.913 |
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| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
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|---|---|---|---|---|---|
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Total active interactions
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MM282749
Similarity: 0.9
Similarity to MM282749
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+871 more
